 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer06_STD_wB97XD_augccpVDZ.in
 Output=31_naproxen_conformer06_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-259001.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    259003.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer06_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:14:27 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer06_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.567529000000     -0.314210000000      0.221267000000
  C                                                 1.116501000000      0.958834000000     -0.121705000000
  C                                                -0.832468000000     -0.452394000000      0.346989000000
  C                                                -1.683696000000      0.608480000000      0.142165000000
  C                                                -1.129092000000      1.866387000000     -0.201361000000
  C                                                 0.222901000000      2.038684000000     -0.327975000000
  C                                                 1.454755000000     -1.393161000000      0.424360000000
  H                                                -1.231675000000     -1.426463000000      0.608205000000
  H                                                -1.795403000000      2.705320000000     -0.363172000000
  H                                                 0.626528000000      3.008752000000     -0.590297000000
  C                                                -3.181225000000      0.455073000000      0.309625000000
  C                                                -3.596004000000      0.302981000000      1.774735000000
  C                                                -3.777838000000     -0.669365000000     -0.546498000000
  H                                                -3.650918000000      1.363909000000     -0.084442000000
  H                                                -3.157853000000     -0.597186000000      2.206387000000
  H                                                -4.678109000000      0.225656000000      1.860053000000
  H                                                -3.249256000000      1.161577000000      2.349930000000
  O                                                -4.726990000000     -1.325156000000     -0.223619000000
  O                                                -3.202213000000     -0.855212000000     -1.757282000000
  H                                                -2.391116000000     -0.328302000000     -1.815758000000
  C                                                 2.811014000000     -1.236817000000      0.299275000000
  C                                                 3.349389000000      0.027072000000     -0.040677000000
  C                                                 2.511206000000      1.099868000000     -0.246327000000
  O                                                 4.681594000000      0.258681000000     -0.182443000000
  C                                                 5.589463000000     -0.812553000000      0.016953000000
  H                                                 1.048620000000     -2.363129000000      0.683601000000
  H                                                 3.460822000000     -2.083374000000      0.461722000000
  H                                                 2.940663000000      2.058592000000     -0.506194000000
  H                                                 5.415680000000     -1.623094000000     -0.696322000000
  H                                                 5.528037000000     -1.205433000000      1.035691000000
  H                                                 6.580248000000     -0.396589000000     -0.147622000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.428160   0.000000
     3  C    1.412407   2.451473   0.000000
     4  C    2.434261   2.834339   1.375498   0.000000
     5  C    2.795021   2.423362   2.401129   1.417013   0.000000
     6  C    2.440603   1.416737   2.788342   2.429326   1.368796
     7  C    1.411578   2.438131   2.474352   3.733105   4.206239
     8  H    2.150340   3.425834   1.084625   2.136003   3.392460
     9  H    3.878476   3.404072   3.376793   2.159764   1.083495
    10  H    3.421139   2.159124   3.871267   3.411003   2.130369
    11  C    3.827892   4.348594   2.518244   1.514652   2.542472
    12  C    4.486557   5.121946   3.200966   2.532891   3.526308
    13  C    4.426942   5.175523   3.085547   2.548053   3.683071
    14  H    4.550257   4.784742   3.380643   2.119431   2.574055
    15  H    4.230750   5.109923   2.980896   2.808520   3.997789
    16  H    5.522119   6.167854   4.187848   3.473356   4.420062
    17  H    4.612700   5.020948   3.529524   2.762448   3.391303
    18  O    5.408499   6.274821   4.031700   3.624139   4.809502
    19  O    4.291654   4.961569   3.194669   2.838342   3.758433
    20  H    3.592109   4.102428   2.668756   2.282864   3.002606
    21  C    2.427038   2.805260   3.727272   4.861298   5.040332
    22  C    2.814930   2.420854   4.227068   5.069853   4.844140
    23  C    2.448702   1.407346   3.733858   4.241414   3.720396
    24  O    4.173334   3.633702   5.584873   6.383153   6.029025
    25  C    5.050734   4.812944   6.440484   7.411738   7.236253
    26  H    2.154825   3.418854   2.702352   4.072980   4.838842
    27  H    3.399839   3.884747   4.594083   5.815003   6.091601
    28  H    3.433825   2.164455   4.611886   4.889570   4.085679
    29  H    5.104872   5.047720   6.441924   7.488933   7.433405
    30  H    5.105311   5.048293   6.441848   7.489844   7.435304
    31  H    6.024588   5.629420   7.429409   8.329881   8.034791
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.723041   0.000000
     8  H    3.872915   2.692919   0.000000
     9  H    2.125839   5.289733   4.281704   0.000000
    10  H    1.082940   4.592638   4.955851   2.451409   0.000000
    11  C    3.808206   4.992138   2.725816   2.727044   4.672271
    12  C    4.692344   5.496415   3.153065   3.685654   5.544759
    13  C    4.836031   5.370891   2.896460   3.918183   5.738371
    14  H    3.939683   5.824793   3.757482   2.306515   4.610634
    15  H    4.979990   5.008528   2.636674   4.400619   5.928387
    16  H    5.665195   6.503369   4.021757   4.404708   6.472172
    17  H    4.471730   5.688781   3.715130   3.443509   5.203719
    18  O    5.985627   6.215985   3.594360   4.985821   6.897635
    19  O    4.706268   5.170716   3.131274   4.074315   5.563392
    20  H    3.827428   4.576328   2.902733   3.415808   4.663031
    21  C    4.221455   1.370959   4.058908   6.099046   4.856766
    22  C    3.728814   2.413081   4.849738   5.809122   4.075104
    23  C    2.474749   2.789463   4.595838   4.597609   2.704471
    24  O    4.803075   3.675497   6.199321   6.926052   4.916584
    25  C    6.086749   4.195104   6.874183   8.188783   6.293000
    26  H    4.591411   1.083046   2.466328   5.905368   5.536974
    27  H    5.300860   2.121814   4.740519   7.158208   5.921969
    28  H    2.723672   3.871492   5.549405   4.782158   2.503018
    29  H    6.364688   4.122830   6.777004   8.416999   6.663424
    30  H    6.366188   4.123178   6.776821   8.419239   6.665432
    31  H    6.810209   5.252713   7.915684   8.934194   6.873070
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530268   0.000000
    13  C    1.534032   2.523221   0.000000
    14  H    1.096304   2.141290   2.088973   0.000000
    15  H    2.169217   1.090230   2.822759   3.055635   0.000000
    16  H    2.167284   1.088214   2.720852   2.476248   1.763007
    17  H    2.160236   1.090078   3.467138   2.475568   1.766977
    18  O    2.417220   2.814850   1.197999   2.899719   2.982794
    19  O    2.447323   3.737864   1.353470   2.815001   3.972306
    20  H    2.399000   3.839520   1.910587   2.729127   4.103393
    21  C    6.226518   6.752617   6.667106   6.976215   6.298696
    22  C    6.553992   7.184033   7.179014   7.126945   6.912539
    23  C    5.755746   6.482109   6.540058   6.169902   6.405781
    24  O    7.880649   8.505947   8.517969   8.406063   8.239900
    25  C    8.866651   9.418440   9.385324   9.493783   9.019731
    26  H    5.096441   5.465460   5.260863   6.047012   4.809558
    27  H    7.112217   7.564224   7.444067   7.922052   7.004247
    28  H    6.380779   7.142326   7.251319   6.641491   7.183533
    29  H    8.901544   9.540772   9.244069   9.565552   9.109538
    30  H    8.895825   9.277372   9.454629   9.597366   8.785510
    31  H    9.809218  10.379834  10.369352  10.381720  10.020589
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776949   0.000000
    18  O    2.597902   3.871782   0.000000
    19  O    4.053598   4.575898   2.213123   0.000000
    20  H    4.364492   4.506562   2.997488   0.968985   0.000000
    21  C    7.788570   6.832595   7.556635   6.366628   5.688666
    22  C    8.251844   7.109446   8.190842   6.829981   6.019186
    23  C    7.542369   6.318804   7.633658   6.224828   5.341867
    24  O    9.580027   8.374158   9.541053   8.116359   7.282547
    25  C   10.483221   9.352161  10.331981   8.969019   8.202620
    26  H    6.393846   5.802753   5.937854   5.128480   4.713714
    27  H    8.574914   7.688965   8.251355   7.129404   6.520151
    28  H    8.185626   6.875840   8.385851   6.913060   5.986659
    29  H   10.575325   9.597664  10.158050   8.716843   7.992227
    30  H   10.338907   9.185360  10.332752   9.172820   8.462453
    31  H   11.452884  10.260838  11.345556   9.924610   9.125388
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.415214   0.000000
    23  C    2.418194   1.376857   0.000000
    24  O    2.442875   1.359599   2.328575   0.000000
    25  C    2.824798   2.392953   3.633502   1.418283   0.000000
    26  H    2.126574   3.395759   3.872502   4.563159   4.844374
    27  H    1.079490   2.172281   3.396488   2.718539   2.518714
    28  H    3.394895   2.123873   1.082181   2.524943   3.941230
    29  H    2.815086   2.724422   4.006618   2.084234   1.093590
    30  H    2.815228   2.724728   4.007400   2.084214   1.093597
    31  H    3.887522   3.260272   4.336615   2.008850   1.087091
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.438486   0.000000
    28  H    4.954499   4.285243   0.000000
    29  H    4.639294   2.318274   4.440346   0.000000
    30  H    4.639979   2.318102   4.441371   1.785199   0.000000
    31  H    5.929344   3.598244   4.404891   1.778090   1.778091
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.567529   -0.314210    0.221267
      2          6           0        1.116501    0.958834   -0.121705
      3          6           0       -0.832468   -0.452394    0.346989
      4          6           0       -1.683696    0.608480    0.142165
      5          6           0       -1.129092    1.866387   -0.201361
      6          6           0        0.222901    2.038684   -0.327975
      7          6           0        1.454755   -1.393161    0.424360
      8          1           0       -1.231675   -1.426463    0.608205
      9          1           0       -1.795403    2.705320   -0.363172
     10          1           0        0.626528    3.008752   -0.590297
     11          6           0       -3.181225    0.455073    0.309625
     12          6           0       -3.596004    0.302981    1.774735
     13          6           0       -3.777838   -0.669365   -0.546498
     14          1           0       -3.650918    1.363909   -0.084442
     15          1           0       -3.157853   -0.597186    2.206387
     16          1           0       -4.678109    0.225656    1.860053
     17          1           0       -3.249256    1.161577    2.349930
     18          8           0       -4.726990   -1.325156   -0.223619
     19          8           0       -3.202213   -0.855212   -1.757282
     20          1           0       -2.391116   -0.328302   -1.815758
     21          6           0        2.811014   -1.236817    0.299275
     22          6           0        3.349389    0.027072   -0.040677
     23          6           0        2.511206    1.099868   -0.246327
     24          8           0        4.681594    0.258681   -0.182443
     25          6           0        5.589463   -0.812553    0.016953
     26          1           0        1.048620   -2.363129    0.683601
     27          1           0        3.460822   -2.083374    0.461722
     28          1           0        2.940663    2.058592   -0.506194
     29          1           0        5.415680   -1.623094   -0.696322
     30          1           0        5.528037   -1.205433    1.035691
     31          1           0        6.580248   -0.396589   -0.147622
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3057598           0.2090469           0.1973322
 Leave Link  202 at Thu Aug 12 22:14:28 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1134.4648957289 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0209846794 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1134.4439110495 Hartrees.
 Leave Link  301 at Thu Aug 12 22:14:29 2021, MaxMem=  5368709120 cpu:              11.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.10D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.91D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:               5.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:14:30 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer06_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:14:31 2021, MaxMem=  5368709120 cpu:               7.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368092331 LenY=  5367788179
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -767.447333387917    
 DIIS: error= 1.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -767.447333387917     IErMin= 1 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.47D-03 BMatP= 9.47D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.291 Goal=   None    Shift=    0.000
 GapD=    0.291 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.48D-02 MaxDP=5.46D+00              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.17D-02    CP:  1.22D+00
 E= -767.454697085149     Delta-E=       -0.007363697232 Rises=F Damp=F
 DIIS: error= 3.13D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -767.454697085149     IErMin= 2 ErrMin= 3.13D-04
 ErrMax= 3.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.01D-04 BMatP= 9.47D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.13D-03
 Coeff-Com: -0.272D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.272D-01 0.103D+01
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=8.00D-03 MaxDP=8.13D-01 DE=-7.36D-03 OVMax= 5.19D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.04D-03    CP:  1.27D+00  1.13D+00
 E= -767.454869042063     Delta-E=       -0.000171956914 Rises=F Damp=F
 DIIS: error= 3.11D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -767.454869042063     IErMin= 3 ErrMin= 3.11D-04
 ErrMax= 3.11D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-04 BMatP= 2.01D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.11D-03
 Coeff-Com: -0.377D-01 0.524D+00 0.514D+00
 Coeff-En:   0.000D+00 0.292D-01 0.971D+00
 Coeff:     -0.375D-01 0.523D+00 0.515D+00
 Gap=     0.291 Goal=   None    Shift=    0.000
 RMSDP=5.61D-04 MaxDP=5.95D-02 DE=-1.72D-04 OVMax= 1.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.15D-04    CP:  1.27D+00  1.14D+00  1.09D+00
 E= -767.455005632572     Delta-E=       -0.000136590509 Rises=F Damp=F
 DIIS: error= 3.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -767.455005632572     IErMin= 4 ErrMin= 3.95D-05
 ErrMax= 3.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.36D-06 BMatP= 1.97D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.300D-02-0.224D-01 0.854D-01 0.940D+00
 Coeff:     -0.300D-02-0.224D-01 0.854D-01 0.940D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=2.96D-04 MaxDP=3.02D-02 DE=-1.37D-04 OVMax= 9.98D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.98D-05    CP:  1.27D+00  1.14D+00  1.16D+00  1.38D+00
 E= -767.455012772160     Delta-E=       -0.000007139588 Rises=F Damp=F
 DIIS: error= 2.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -767.455012772160     IErMin= 5 ErrMin= 2.33D-05
 ErrMax= 2.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-06 BMatP= 4.36D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-02-0.533D-01-0.150D-01 0.381D+00 0.685D+00
 Coeff:      0.197D-02-0.533D-01-0.150D-01 0.381D+00 0.685D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=3.74D-05 MaxDP=2.20D-03 DE=-7.14D-06 OVMax= 3.67D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.07D-05    CP:  1.27D+00  1.14D+00  1.17D+00  1.49D+00  1.14D+00
 E= -767.455014076297     Delta-E=       -0.000001304137 Rises=F Damp=F
 DIIS: error= 8.24D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -767.455014076297     IErMin= 6 ErrMin= 8.24D-06
 ErrMax= 8.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-07 BMatP= 1.04D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-02-0.216D-01-0.185D-01 0.528D-01 0.312D+00 0.674D+00
 Coeff:      0.132D-02-0.216D-01-0.185D-01 0.528D-01 0.312D+00 0.674D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.63D-05 MaxDP=1.57D-03 DE=-1.30D-06 OVMax= 1.82D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.99D-06    CP:  1.27D+00  1.14D+00  1.17D+00  1.51D+00  1.20D+00
                    CP:  1.20D+00
 E= -767.455014316750     Delta-E=       -0.000000240453 Rises=F Damp=F
 DIIS: error= 4.26D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -767.455014316750     IErMin= 7 ErrMin= 4.26D-06
 ErrMax= 4.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-08 BMatP= 1.83D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-03 0.637D-03-0.432D-02-0.465D-01-0.497D-03 0.264D+00
 Coeff-Com:  0.786D+00
 Coeff:      0.195D-03 0.637D-03-0.432D-02-0.465D-01-0.497D-03 0.264D+00
 Coeff:      0.786D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=1.21D-05 MaxDP=1.21D-03 DE=-2.40D-07 OVMax= 1.08D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.51D-06    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.23D+00
                    CP:  1.25D+00  1.33D+00
 E= -767.455014370300     Delta-E=       -0.000000053550 Rises=F Damp=F
 DIIS: error= 1.93D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -767.455014370300     IErMin= 8 ErrMin= 1.93D-06
 ErrMax= 1.93D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-09 BMatP= 2.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.163D-03 0.380D-02 0.213D-02-0.225D-01-0.555D-01-0.471D-01
 Coeff-Com:  0.238D+00 0.881D+00
 Coeff:     -0.163D-03 0.380D-02 0.213D-02-0.225D-01-0.555D-01-0.471D-01
 Coeff:      0.238D+00 0.881D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=3.77D-06 MaxDP=3.15D-04 DE=-5.36D-08 OVMax= 5.84D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.30D-06    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.27D+00  1.36D+00  1.33D+00
 E= -767.455014378988     Delta-E=       -0.000000008688 Rises=F Damp=F
 DIIS: error= 4.95D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -767.455014378988     IErMin= 9 ErrMin= 4.95D-07
 ErrMax= 4.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.56D-10 BMatP= 3.46D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.775D-04 0.135D-02 0.125D-02-0.391D-02-0.217D-01-0.478D-01
 Coeff-Com:  0.113D-01 0.360D+00 0.700D+00
 Coeff:     -0.775D-04 0.135D-02 0.125D-02-0.391D-02-0.217D-01-0.478D-01
 Coeff:      0.113D-01 0.360D+00 0.700D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=9.73D-07 MaxDP=7.45D-05 DE=-8.69D-09 OVMax= 1.37D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.24D-07    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.26D+00  1.38D+00  1.36D+00  1.10D+00
 E= -767.455014380181     Delta-E=       -0.000000001192 Rises=F Damp=F
 DIIS: error= 1.85D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -767.455014380181     IErMin=10 ErrMin= 1.85D-07
 ErrMax= 1.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-11 BMatP= 5.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.105D-05-0.214D-03 0.378D-04 0.290D-02 0.308D-02-0.763D-02
 Coeff-Com: -0.414D-01-0.446D-01 0.210D+00 0.878D+00
 Coeff:      0.105D-05-0.214D-03 0.378D-04 0.290D-02 0.308D-02-0.763D-02
 Coeff:     -0.414D-01-0.446D-01 0.210D+00 0.878D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=9.07D-07 MaxDP=7.60D-05 DE=-1.19D-09 OVMax= 6.91D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.85D-07    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.25D+00  1.36D+00  1.36D+00  1.12D+00  1.19D+00
 E= -767.455014380200     Delta-E=       -0.000000000019 Rises=F Damp=F
 DIIS: error= 5.38D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -767.455014380200     IErMin=11 ErrMin= 5.38D-08
 ErrMax= 5.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.23D-12 BMatP= 5.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.942D-05-0.241D-03-0.133D-03 0.160D-02 0.360D-02 0.210D-02
 Coeff-Com: -0.172D-01-0.529D-01 0.635D-02 0.336D+00 0.721D+00
 Coeff:      0.942D-05-0.241D-03-0.133D-03 0.160D-02 0.360D-02 0.210D-02
 Coeff:     -0.172D-01-0.529D-01 0.635D-02 0.336D+00 0.721D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=2.16D-07 MaxDP=2.05D-05 DE=-1.93D-11 OVMax= 1.39D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.70D-08    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.25D+00  1.36D+00  1.36D+00  1.14D+00  1.25D+00
                    CP:  1.08D+00
 E= -767.455014380352     Delta-E=       -0.000000000152 Rises=F Damp=F
 DIIS: error= 1.89D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -767.455014380352     IErMin=12 ErrMin= 1.89D-08
 ErrMax= 1.89D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.82D-13 BMatP= 8.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-05-0.491D-04-0.497D-04 0.139D-03 0.770D-03 0.171D-02
 Coeff-Com: -0.331D-03-0.107D-01-0.252D-01 0.112D-02 0.230D+00 0.803D+00
 Coeff:      0.274D-05-0.491D-04-0.497D-04 0.139D-03 0.770D-03 0.171D-02
 Coeff:     -0.331D-03-0.107D-01-0.252D-01 0.112D-02 0.230D+00 0.803D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=4.01D-08 MaxDP=1.77D-06 DE=-1.52D-10 OVMax= 4.85D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.37D-08    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.25D+00  1.35D+00  1.35D+00  1.13D+00  1.26D+00
                    CP:  1.15D+00  1.03D+00
 E= -767.455014380288     Delta-E=        0.000000000064 Rises=F Damp=F
 DIIS: error= 6.63D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -767.455014380352     IErMin=13 ErrMin= 6.63D-09
 ErrMax= 6.63D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.77D-14 BMatP= 7.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.167D-06 0.110D-04-0.525D-06-0.127D-03-0.142D-03 0.340D-03
 Coeff-Com:  0.156D-02 0.242D-02-0.916D-02-0.347D-01-0.139D-01 0.256D+00
 Coeff-Com:  0.797D+00
 Coeff:     -0.167D-06 0.110D-04-0.525D-06-0.127D-03-0.142D-03 0.340D-03
 Coeff:      0.156D-02 0.242D-02-0.916D-02-0.347D-01-0.139D-01 0.256D+00
 Coeff:      0.797D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=2.55D-08 MaxDP=2.49D-06 DE= 6.41D-11 OVMax= 1.85D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.69D-09    CP:  1.27D+00  1.14D+00  1.17D+00  1.52D+00  1.22D+00
                    CP:  1.25D+00  1.35D+00  1.35D+00  1.13D+00  1.26D+00
                    CP:  1.16D+00  1.11D+00  1.08D+00
 E= -767.455014380157     Delta-E=        0.000000000131 Rises=F Damp=F
 DIIS: error= 3.02D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -767.455014380352     IErMin=14 ErrMin= 3.02D-09
 ErrMax= 3.02D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-14 BMatP= 9.77D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.380D-06 0.101D-04 0.570D-05-0.704D-04-0.152D-03-0.553D-04
 Coeff-Com:  0.643D-03 0.229D-02-0.922D-03-0.139D-01-0.336D-01 0.138D-01
 Coeff-Com:  0.324D+00 0.708D+00
 Coeff:     -0.380D-06 0.101D-04 0.570D-05-0.704D-04-0.152D-03-0.553D-04
 Coeff:      0.643D-03 0.229D-02-0.922D-03-0.139D-01-0.336D-01 0.138D-01
 Coeff:      0.324D+00 0.708D+00
 Gap=     0.292 Goal=   None    Shift=    0.000
 RMSDP=8.62D-09 MaxDP=8.35D-07 DE= 1.31D-10 OVMax= 6.90D-08

 SCF Done:  E(RwB97XD) =  -767.455014380     A.U. after   14 cycles
            NFock= 14  Conv=0.86D-08     -V/T= 2.0058
 KE= 7.630482210516D+02 PE=-4.056531598893D+03 EE= 1.391584452412D+03
 Leave Link  502 at Thu Aug 12 22:27:52 2021, MaxMem=  5368709120 cpu:            6390.3 elap:             801.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.12193061D+03

 Leave Link  801 at Thu Aug 12 22:27:52 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.98D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.18D-01 9.70D-02.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 5.98D-02 1.28D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 7.95D-03 3.66D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 1.99D-03 1.24D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 3.14D-04 6.62D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 1.59D-05 8.23D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 9.77D-07 1.91D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 5.66D-08 4.34D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 1.83D-09 7.96D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 5.92D-11 1.13D-06.
      8 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 2.36D-12 2.21D-07.
      6 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 1.27D-13 4.52D-08.
      3 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 1.70D-13 2.44D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.299444D+03
      2 -0.175850D+02  0.177867D+03
      3 -0.792047D+01 -0.112483D+02  0.123609D+03
 Isotropic polarizability for W=    0.088559      200.31 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.371863D+03 -0.188643D+03  0.180691D+02
      2  -0.183974D+03  0.148263D+03 -0.506759D+02
      3  -0.187890D+03  0.403797D+02  0.326068D+02
      4  -0.112660D+03  0.104502D+03 -0.444783D+02
      5   0.802100D+02 -0.540328D+02 -0.506694D+02
      6  -0.182067D+02  0.155631D+02 -0.328298D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.604116D+01  0.204277D+02 -0.318301D+01
      2  -0.841131D+00 -0.160564D+02 -0.255355D+02
      3   0.132392D+03 -0.576516D+02  0.198920D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.955452D+01  0.662390D+02  0.436627D+02
      2  -0.621409D+02 -0.262716D+02  0.137220D+03
      3   0.759833D+02 -0.288475D+03  0.358261D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.470835D+00 -0.438438D+01 -0.173464D+02
      2  -0.438438D+01  0.357526D+00  0.188985D+01
      3  -0.173464D+02  0.188985D+01 -0.209226D+01
 OR G Eigenvalues:   -18.7952    -0.6842    17.2738  Iso=     0.7352
 Eigenvectors:
   (1)   0.695882   0.088982   0.712623
   (2)   0.124464   0.962335  -0.241703
   (3)   0.707289  -0.256893  -0.658596
 w=    0.088559 a.u., Optical Rotation Beta=      0.7352 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      161.90 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 3.27D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 3.48D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 5.26D-02 5.27D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 6.61D-03 2.43D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 1.96D-04 2.91D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 7.10D-06 2.74D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 1.84D-07 3.49D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 3.02D-09 4.95D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 5.27D-11 6.31D-07.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 7.85D-13 5.53D-08.
     13 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 2.42D-13 3.05D-08.
      1 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 5.42D-14 1.34D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   284 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 6.94D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 6.94D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.61D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299444D+03 -0.175850D+02 -0.792047D+01
      2  -0.175850D+02  0.177867D+03 -0.112483D+02
      3  -0.792047D+01 -0.112483D+02  0.123609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.604116D+01  0.204277D+02 -0.318301D+01
      2  -0.841131D+00 -0.160564D+02 -0.255355D+02
      3   0.132392D+03 -0.576516D+02  0.198920D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.371863D+03 -0.188643D+03  0.180691D+02
      2  -0.183974D+03  0.148263D+03 -0.506759D+02
      3  -0.187890D+03  0.403797D+02  0.326068D+02
      4  -0.112660D+03  0.104502D+03 -0.444783D+02
      5   0.802100D+02 -0.540328D+02 -0.506694D+02
      6  -0.182067D+02  0.155631D+02 -0.328298D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404997D+02  0.125461D+02 -0.897147D+00 -0.388892D+02  0.797310D+01
      2   0.125461D+02 -0.783962D+01  0.110639D+01  0.797310D+01 -0.590954D+01
      3  -0.897147D+00  0.110639D+01 -0.333486D-01  0.810125D-01  0.807411D+00
                 6             7             8             9            10 
      1   0.810125D-01  0.123632D+02 -0.311492D+01 -0.105650D+01  0.382034D+02
      2   0.807411D+00 -0.311492D+01  0.158609D+01 -0.108240D+01 -0.126617D+02
      3   0.789580D-01 -0.105650D+01 -0.108240D+01  0.677863D+00  0.838718D+00
                11            12            13            14            15 
      1  -0.126617D+02  0.838718D+00  0.419902D+02 -0.896110D+01  0.285345D-01
      2   0.410639D+01 -0.226904D+00 -0.896110D+01  0.816253D+01 -0.128403D+01
      3  -0.226904D+00 -0.127701D+00  0.285345D-01 -0.128403D+01 -0.845754D-01
                16            17            18            19            20 
      1  -0.126040D+02  0.324114D+01  0.799340D+00  0.409959D+02 -0.123376D+02
      2   0.324114D+01 -0.180357D+01  0.120518D+01 -0.123376D+02  0.113329D+02
      3   0.799340D+00  0.120518D+01 -0.475138D+00  0.102229D+01 -0.215766D+01
                21            22            23            24            25 
      1   0.102229D+01 -0.215518D+02  0.390958D+01 -0.389256D+00  0.358769D+01
      2  -0.215766D+01  0.390958D+01 -0.813590D+01  0.477266D+00 -0.744009D+00
      3   0.494661D+00 -0.389256D+00  0.477266D+00 -0.166992D+01 -0.495124D+00
                26            27            28            29            30 
      1  -0.744009D+00 -0.495124D+00 -0.470878D+02  0.668694D+01  0.268626D+00
      2  -0.304343D+00 -0.310916D+01  0.668694D+01 -0.471514D+01  0.118142D+00
      3  -0.310916D+01  0.214478D+01  0.268626D+00  0.118142D+00 -0.209544D+01
                31            32            33            34            35 
      1   0.863524D+01 -0.285896D+01 -0.113382D+01 -0.493827D+01 -0.832213D+00
      2  -0.285896D+01  0.172794D+02 -0.382084D+01 -0.832213D+00 -0.308620D+01
      3  -0.113382D+01 -0.382084D+01  0.723697D+00 -0.647821D+01  0.176926D+01
                36            37            38            39            40 
      1  -0.647821D+01 -0.386743D+01 -0.225147D+01  0.597353D+00  0.104170D+02
      2   0.176926D+01 -0.225147D+01 -0.145488D+02  0.320315D+01 -0.220712D+01
      3   0.885140D-01  0.597353D+00  0.320315D+01 -0.314015D+01 -0.857087D+00
                41            42            43            44            45 
      1  -0.220712D+01 -0.857087D+00 -0.264125D+01 -0.628753D+00 -0.524693D+01
      2  -0.656825D+01  0.278908D+01 -0.628753D+00  0.381940D+01  0.202802D+01
      3   0.278908D+01  0.794824D+00 -0.524693D+01  0.202802D+01 -0.816319D+00
                46            47            48            49            50 
      1   0.104315D+02  0.165247D+01 -0.725041D+00  0.313789D+00 -0.336578D+01
      2   0.165247D+01  0.102780D+02 -0.173894D+01 -0.336578D+01  0.133790D+01
      3  -0.725041D+00 -0.173894D+01  0.246705D+01  0.117274D+01  0.143347D+01
                51            52            53            54            55 
      1   0.117274D+01 -0.331005D+00  0.114566D+01  0.926645D+00 -0.607587D+01
      2   0.143347D+01  0.114566D+01  0.130651D+01  0.409655D+01 -0.284035D+01
      3   0.995114D+00  0.926645D+00  0.409655D+01 -0.271683D+01  0.889011D+00
                56            57            58            59            60 
      1  -0.284035D+01  0.889011D+00 -0.726686D+00  0.370495D+01 -0.121625D+01
      2  -0.566694D+01  0.743338D+00  0.370495D+01 -0.334307D+01 -0.761758D+00
      3   0.743338D+00 -0.251182D+01 -0.121625D+01 -0.761758D+00 -0.932169D+00
                61            62            63            64            65 
      1   0.313142D+00 -0.121423D+01 -0.542033D+00 -0.170858D+01 -0.220828D+01
      2  -0.121423D+01 -0.768995D+00 -0.375603D+01 -0.220828D+01 -0.112762D+01
      3  -0.542033D+00 -0.375603D+01  0.256499D+01  0.587446D+00  0.310318D+00
                66            67            68            69            70 
      1   0.587446D+00 -0.287345D+01 -0.271781D+01  0.805920D+00  0.829580D+00
      2   0.310318D+00 -0.271781D+01 -0.525127D+01  0.128912D+01  0.798062D+00
      3  -0.381941D+00  0.805920D+00  0.128912D+01 -0.106408D+01 -0.335899D+00
                71            72            73            74            75 
      1   0.798062D+00 -0.335899D+00 -0.551947D+01  0.348603D+01 -0.467136D+00
      2   0.127518D+01 -0.428748D+00  0.348603D+01 -0.356297D+01  0.579208D+00
      3  -0.428748D+00  0.359199D+00 -0.467136D+00  0.579208D+00 -0.442596D+00
                76            77            78            79            80 
      1   0.391459D+01 -0.462685D+01  0.987058D+00 -0.551405D+00  0.103740D+01
      2  -0.462685D+01  0.646790D+01 -0.102618D+01  0.103740D+01 -0.121598D+01
      3   0.987058D+00 -0.102618D+01  0.839174D+00  0.327631D+00  0.394594D+00
                81            82            83            84            85 
      1   0.327631D+00  0.126925D+01  0.184146D+01 -0.509167D+00  0.769489D+00
      2   0.394594D+00  0.184146D+01  0.280524D+01 -0.733953D+00  0.192769D+01
      3  -0.310394D+00 -0.509167D+00 -0.733953D+00  0.432938D+00 -0.462458D+00
                86            87            88            89            90 
      1   0.192769D+01 -0.462458D+00 -0.280494D+00 -0.518922D+00  0.118144D+00
      2   0.962775D+01 -0.224942D+01 -0.518922D+00 -0.252295D+01  0.564702D+00
      3  -0.224942D+01  0.135969D+01  0.118144D+00  0.564702D+00 -0.350615D+00
                91            92            93            94            95 
      1   0.138745D+02 -0.191428D+01  0.263856D+00  0.450461D+01  0.122975D+01
      2  -0.191428D+01  0.157091D+01  0.782119D+00  0.122975D+01 -0.233068D+01
      3   0.263856D+00  0.782119D+00  0.278858D+01  0.638598D+00  0.234730D+01
                96            97            98            99           100 
      1   0.638598D+00 -0.373735D+01  0.150280D+01  0.772216D+01  0.870835D+01
      2   0.234730D+01  0.150280D+01  0.189058D+01 -0.147068D+00  0.304042D+00
      3   0.104327D+01  0.772216D+01 -0.147068D+00 -0.223566D+01 -0.191135D+01
               101           102           103           104           105 
      1   0.304042D+00 -0.191135D+01 -0.409639D+00 -0.196238D+01 -0.212516D+00
      2  -0.182859D+01 -0.356416D+00 -0.196238D+01  0.206052D-02 -0.366050D+01
      3  -0.356416D+00 -0.223777D+01 -0.212516D+00 -0.366050D+01 -0.853009D+00
               106           107           108           109           110 
      1   0.585344D+01 -0.779295D+00 -0.524868D+01  0.524085D+01  0.370221D+01
      2  -0.779295D+00 -0.251655D+01 -0.168428D+00  0.370221D+01  0.146968D+01
      3  -0.524868D+01 -0.168428D+00  0.333870D+01 -0.164798D+01 -0.651747D+00
               111           112           113           114           115 
      1  -0.164798D+01  0.749013D+00  0.162373D+01 -0.134157D+01 -0.692564D+01
      2  -0.651747D+00  0.162373D+01  0.561194D+00 -0.121026D+01 -0.189454D+01
      3  -0.114242D+01 -0.134157D+01 -0.121026D+01 -0.523432D+00 -0.336984D+01
               116           117           118           119           120 
      1  -0.189454D+01 -0.336984D+01 -0.140044D+01  0.228712D+01 -0.891627D+00
      2  -0.188448D+01 -0.691028D-01  0.228712D+01 -0.193975D+01  0.113001D+00
      3  -0.691028D-01  0.349803D+00 -0.891627D+00  0.113001D+00 -0.128929D+01
               121           122           123           124           125 
      1   0.452784D+01 -0.217483D+01  0.246542D+00 -0.154350D+01  0.175591D+00
      2  -0.217483D+01  0.499587D+01 -0.119627D+01  0.175591D+00 -0.150122D+01
      3   0.246542D+00 -0.119627D+01  0.139870D+01 -0.157106D+01  0.108574D+01
               126           127           128           129           130 
      1  -0.157106D+01  0.457404D+00 -0.624909D+00  0.231533D+00 -0.196590D+01
      2   0.108574D+01 -0.624909D+00  0.955576D+00 -0.440548D+00  0.245161D+00
      3  -0.642345D+00  0.231533D+00 -0.440548D+00  0.159231D+01  0.374932D+00
               131           132           133           134           135 
      1   0.245161D+00  0.374932D+00  0.436730D+00 -0.338142D-01  0.336853D+00
      2  -0.325356D+01  0.213973D+01 -0.338142D-01  0.167254D+01 -0.126773D+01
      3   0.213973D+01 -0.274021D+01  0.336853D+00 -0.126773D+01  0.213142D+01
               136           137           138           139           140 
      1  -0.151260D+02  0.165220D+00  0.381968D+01 -0.684375D+00 -0.104866D+01
      2   0.165220D+00 -0.812973D+00 -0.232523D+00 -0.104866D+01 -0.102822D+00
      3   0.381968D+01 -0.232523D+00 -0.249739D+01  0.441519D-01  0.625844D+00
               141           142           143           144           145 
      1   0.441519D-01  0.150860D+01  0.145681D+00 -0.127643D+01 -0.297735D+00
      2   0.625844D+00  0.145681D+00  0.114211D+00 -0.589803D-01  0.759601D+00
      3  -0.175999D+00 -0.127643D+01 -0.589803D-01  0.408321D+00  0.622719D+00
               146           147           148           149           150 
      1   0.759601D+00  0.622719D+00  0.147034D+01  0.793799D-01 -0.421835D+00
      2   0.100370D+01  0.691093D+00  0.793799D-01  0.384656D+01  0.301953D+01
      3   0.691093D+00  0.152976D+01 -0.421835D+00  0.301953D+01  0.357778D+01
               151           152           153           154           155 
      1   0.254116D+00 -0.494769D-01  0.108215D+00 -0.155109D+02 -0.511595D+01
      2  -0.494769D-01  0.220826D+01  0.223971D+01 -0.511595D+01 -0.294230D+01
      3   0.108215D+00  0.223971D+01  0.361470D+01  0.107720D+01 -0.137692D+00
               156           157           158           159           160 
      1   0.107720D+01 -0.785288D+01 -0.582919D+01  0.711318D+00  0.171873D+01
      2  -0.137692D+00 -0.582919D+01 -0.498644D+01  0.677091D+00  0.783137D+00
      3  -0.220970D+01  0.711318D+00  0.677091D+00 -0.127989D+01 -0.225060D+01
               161           162           163           164           165 
      1   0.783137D+00 -0.225060D+01 -0.970425D+01 -0.331559D+01 -0.264180D+01
      2   0.135263D+01 -0.125355D+01 -0.331559D+01 -0.517152D+00 -0.211286D-01
      3  -0.125355D+01  0.181175D+01 -0.264180D+01 -0.211286D-01 -0.889158D+00
               166           167           168           169           170 
      1  -0.656360D+01 -0.135804D+01 -0.959806D+00  0.683873D+00  0.283481D+00
      2  -0.135804D+01 -0.124769D+01 -0.178739D+01  0.283481D+00 -0.365486D+00
      3  -0.959806D+00 -0.178739D+01 -0.222290D+01 -0.747702D+00 -0.145518D+01
               171           172           173           174           175 
      1  -0.747702D+00  0.906686D+01  0.284244D+01  0.924887D+00  0.783717D+01
      2  -0.145518D+01  0.284244D+01  0.966559D+00  0.510906D+00  0.157950D+01
      3  -0.670850D+01  0.924887D+00  0.510906D+00  0.240233D+01  0.130002D+01
               176           177           178           179           180 
      1   0.157950D+01  0.130002D+01  0.418333D+01  0.759870D+00  0.185779D+01
      2   0.610593D+00 -0.360692D+00  0.759870D+00 -0.979147D+00  0.682811D+00
      3  -0.360692D+00  0.157228D+01  0.185779D+01  0.682811D+00 -0.136440D+01
               181           182           183           184           185 
      1   0.499968D+01  0.218510D+01 -0.476784D+00 -0.140759D+02  0.463081D+01
      2   0.218510D+01  0.103724D+02 -0.229709D+01  0.463081D+01  0.310663D+01
      3  -0.476784D+00 -0.229709D+01  0.306964D+01  0.544569D+00 -0.220588D+01
               186           187           188           189           190 
      1   0.544569D+00  0.361793D+01 -0.515109D+00  0.400351D+01  0.374908D+02
      2  -0.220588D+01 -0.515109D+00 -0.289146D+01 -0.225832D+01 -0.864917D+01
      3  -0.108586D+01  0.400351D+01 -0.225832D+01  0.107191D+01  0.609810D+00
               191           192           193           194           195 
      1  -0.864917D+01  0.609810D+00 -0.477600D+01  0.274848D+01  0.136183D+01
      2   0.993845D+01 -0.105912D+01  0.274848D+01 -0.143005D+02  0.297976D+01
      3  -0.105912D+01  0.400238D+01  0.136183D+01  0.297976D+01 -0.849056D+00
               196           197           198           199           200 
      1  -0.322647D+00  0.150166D+01  0.672867D+01 -0.358431D+02  0.131878D+02
      2   0.150166D+01  0.212331D+01 -0.213975D+01  0.131878D+02 -0.946855D+01
      3   0.672867D+01 -0.213975D+01 -0.198011D+00 -0.105299D+01  0.181829D+01
               201           202           203           204           205 
      1  -0.105299D+01  0.197583D+02 -0.606265D+01  0.622122D+00 -0.237824D+01
      2   0.181829D+01 -0.606265D+01  0.857228D+01 -0.302862D-02  0.111337D+01
      3  -0.520696D+00  0.622122D+00 -0.302862D-02  0.210815D+01  0.531790D+00
               206           207           208           209           210 
      1   0.111337D+01  0.531790D+00 -0.954185D+01  0.525177D+01 -0.801769D+00
      2   0.763156D+00  0.427420D+01  0.525177D+01 -0.446735D+01  0.728293D+00
      3   0.427420D+01 -0.281292D+01 -0.801769D+00  0.728293D+00 -0.447260D+00
               211           212           213           214           215 
      1  -0.211031D+00  0.277616D+01 -0.725569D+00  0.673519D+00 -0.963422D+00
      2   0.277616D+01  0.106094D+01 -0.508596D+00 -0.963422D+00  0.366961D+00
      3  -0.725569D+00 -0.508596D+00 -0.891186D+00  0.262852D+00  0.698476D+00
               216           217           218           219           220 
      1   0.262852D+00 -0.550914D+00 -0.473836D+01  0.109679D+01 -0.523644D+01
      2   0.698476D+00 -0.473836D+01  0.219237D+01  0.119454D+00 -0.103641D+01
      3  -0.779976D-01  0.109679D+01  0.119454D+00  0.831915D-01  0.482406D+00
               221           222           223           224           225 
      1  -0.103641D+01  0.482406D+00  0.102297D+01  0.442850D+00 -0.220113D+01
      2   0.219811D+01  0.211979D+01  0.442850D+00  0.158817D+01  0.397511D+01
      3   0.211979D+01  0.521023D+01 -0.220113D+01  0.397511D+01 -0.331649D+01
               226           227           228           229           230 
      1  -0.847406D+00 -0.162164D+01  0.447747D+00 -0.482639D+00 -0.134516D+01
      2  -0.162164D+01 -0.241935D+01  0.648992D+00 -0.134516D+01 -0.838034D+01
      3   0.447747D+00  0.648992D+00 -0.391054D+00  0.342699D+00  0.195192D+01
               231           232           233           234           235 
      1   0.342699D+00  0.189895D+00  0.454228D+00  0.150886D-01  0.636156D+01
      2   0.195192D+01  0.454228D+00  0.211991D+01 -0.517994D+00 -0.306156D+01
      3  -0.125916D+01  0.150886D-01 -0.517994D+00  0.335985D+00  0.343459D+00
               236           237           238           239           240 
      1  -0.306156D+01  0.343459D+00 -0.424286D+01  0.445591D+01 -0.969675D+00
      2   0.269892D+01 -0.430597D+00  0.445591D+01 -0.554001D+01  0.937028D+00
      3  -0.430597D+00  0.256745D+00 -0.969675D+00  0.937028D+00 -0.698590D+00
               241           242           243           244           245 
      1   0.548566D+00 -0.979647D+00 -0.315904D+00  0.198056D+01  0.284298D+01
      2  -0.979647D+00  0.114212D+01 -0.183497D+00  0.284298D+01  0.219733D+01
      3  -0.315904D+00 -0.183497D+00  0.210712D+00 -0.779338D+00 -0.615951D+00
               246           247           248           249           250 
      1  -0.779338D+00  0.341909D+01  0.354679D+01 -0.972754D+00 -0.929721D+00
      2  -0.615951D+00  0.354679D+01  0.694218D+01 -0.171076D+01 -0.981792D+00
      3   0.587128D+00 -0.972754D+00 -0.171076D+01  0.125891D+01  0.464769D+00
               251           252           253           254           255 
      1  -0.981792D+00  0.464769D+00 -0.423009D+00 -0.575025D-01 -0.799506D+00
      2  -0.178880D+01  0.418462D+00 -0.575025D-01 -0.573129D+00 -0.418422D-01
      3   0.418462D+00 -0.347672D+00 -0.799506D+00 -0.418422D-01 -0.509608D+00
               256           257           258           259           260 
      1  -0.228444D+01  0.243572D+01  0.125498D+01 -0.335053D+01  0.166049D+01
      2   0.243572D+01 -0.488908D+01 -0.277956D+01  0.166049D+01 -0.301757D+01
      3   0.125498D+01 -0.277956D+01 -0.277385D+01  0.192179D+01 -0.283520D+01
               261           262           263           264           265 
      1   0.192179D+01  0.223853D+00  0.163314D+00  0.108578D+01 -0.585092D+00
      2  -0.283520D+01  0.163314D+00 -0.394088D+00 -0.265385D+00  0.124225D+01
      3  -0.297410D+01  0.108578D+01 -0.265385D+00 -0.409596D-01 -0.104979D+01
               266           267           268           269           270 
      1   0.124225D+01 -0.104979D+01  0.475717D+01 -0.169932D+01  0.334426D+01
      2  -0.165738D+01  0.133934D+01 -0.169932D+01  0.177756D+01 -0.253096D+01
      3   0.133934D+01 -0.220701D+01  0.334426D+01 -0.253096D+01  0.647991D+01
               271           272           273           274           275 
      1   0.147002D+02  0.149377D+01 -0.112528D+01  0.510528D+01  0.144595D+01
      2   0.149377D+01  0.935902D+00 -0.652037D-01  0.144595D+01  0.112466D+01
      3  -0.112528D+01 -0.652037D-01  0.120159D+01 -0.287034D+00 -0.368517D+00
               276           277           278           279 
      1  -0.287034D+00 -0.200843D+01 -0.959620D-01  0.166653D+01
      2  -0.368517D+00 -0.959620D-01 -0.459827D+00 -0.170721D+00
      3   0.350117D+00  0.166653D+01 -0.170721D+00 -0.241168D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243696D+01  0.248167D+01 -0.657109D+00  0.214088D+01 -0.888312D+00
      2   0.236184D+01  0.942115D+01 -0.157176D+01  0.662310D+01 -0.763530D+01
      3  -0.153787D+02  0.444699D+02 -0.102886D+02  0.193888D+02 -0.302794D+02
                 6             7             8             9            10 
      1  -0.109888D+00 -0.498836D+01  0.836021D+01 -0.182703D+01 -0.210654D+00
      2   0.196300D+01 -0.203706D+02  0.389586D+01  0.509054D-01 -0.261080D+00
      3   0.630927D+01  0.147999D+01  0.338925D+01 -0.658641D+00  0.334839D+02
                11            12            13            14            15 
      1   0.353042D+01 -0.129993D+01 -0.105100D+00  0.928820D+00  0.890344D+00
      2   0.103706D+02 -0.713981D+01  0.508658D+01 -0.644758D+01  0.105091D+01
      3   0.384590D+02 -0.103004D+02  0.704357D+02 -0.346425D+02  0.444917D+01
                16            17            18            19            20 
      1  -0.520010D+01  0.717762D+01 -0.166905D+01 -0.345186D+01 -0.609150D+00
      2  -0.221339D+02  0.345889D+01  0.613570D+00 -0.511633D+01 -0.777132D+01
      3  -0.138458D+02  0.486711D+01 -0.593169D+00  0.140303D+02 -0.403490D+02
                21            22            23            24            25 
      1   0.185034D+00 -0.797949D+00 -0.190801D+00 -0.128649D+01 -0.590054D+01
      2   0.124901D+01 -0.241966D+01  0.295100D+01  0.929567D+00 -0.183142D+02
      3   0.948860D+01 -0.947223D+01  0.609412D+01 -0.235681D+01  0.783742D+01
                26            27            28            29            30 
      1   0.317879D+01 -0.108756D+01 -0.469862D+00  0.147623D+01  0.776038D+00
      2   0.781306D+01 -0.196584D+01 -0.596850D+00  0.294385D+01  0.796618D+00
      3  -0.238495D+01 -0.144251D+01 -0.369623D+02  0.128815D+02 -0.170972D+01
                31            32            33            34            35 
      1   0.505507D+01  0.519973D+01  0.175636D+00  0.443672D+01  0.129736D+02
      2   0.318581D+01 -0.158027D+01  0.112356D+00 -0.132799D+02  0.130653D+01
      3   0.327132D+02 -0.108032D+02 -0.224091D+00 -0.481258D+01 -0.122942D+01
                36            37            38            39            40 
      1  -0.269181D+01 -0.185348D+00  0.917357D+00  0.748883D+01  0.283562D+01
      2   0.458357D+00 -0.461432D+01  0.154984D+01  0.173781D+01 -0.232822D+01
      3  -0.374299D+01 -0.185316D+02  0.541731D+01 -0.166659D+01  0.939306D+01
                41            42            43            44            45 
      1  -0.493818D+00 -0.184444D+01  0.177077D+02  0.431028D+01 -0.172083D+01
      2  -0.298817D+01 -0.135081D+01 -0.755122D+01 -0.749921D+01  0.207743D+01
      3  -0.123524D+01 -0.107580D+01 -0.275689D+01 -0.127450D+00 -0.700512D+01
                46            47            48            49            50 
      1   0.355439D+00 -0.313706D+01 -0.629280D+01 -0.284757D+01 -0.410155D+00
      2   0.677976D+01 -0.794236D+01  0.168015D+01 -0.610307D+01  0.740414D+01
      3   0.369763D+02 -0.330294D+02  0.686523D+01 -0.749260D+01  0.272535D+02
                51            52            53            54            55 
      1  -0.342952D+01 -0.898397D+01 -0.501322D+01  0.413924D+01  0.639346D+00
      2  -0.146032D+01 -0.155375D+02 -0.275160D+00  0.215627D+01  0.731266D+01
      3  -0.464822D+01  0.444026D+01 -0.341259D+01  0.577608D+01  0.348140D+02
                56            57            58            59            60 
      1  -0.449051D+01 -0.480831D+01 -0.148800D+01  0.569748D+00 -0.236510D+01
      2  -0.937759D+01 -0.440923D+01 -0.679336D+01  0.677850D+01 -0.251690D+01
      3  -0.336183D+02  0.881659D+01 -0.583714D+01  0.348896D+02 -0.502460D+01
                61            62            63            64            65 
      1  -0.763790D+01 -0.249320D+01  0.212777D+01 -0.311551D+00 -0.554044D+00
      2  -0.211578D+02 -0.309933D+01  0.582281D+01  0.829081D+00  0.648858D+00
      3   0.603314D+01 -0.318411D+01  0.110065D+02  0.696660D+00 -0.376234D+00
                66            67            68            69            70 
      1  -0.127921D+01 -0.827551D+00 -0.160319D+01 -0.284171D+01 -0.882320D+00
      2   0.367208D+00  0.105673D+01 -0.513290D+00  0.178603D+01 -0.230488D+01
      3   0.140236D+00  0.315470D+01 -0.564902D+01  0.132254D+01 -0.878456D-01
                71            72            73            74            75 
      1   0.247285D+01  0.342411D+00 -0.342376D+00  0.305555D+00  0.236204D+01
      2  -0.823065D+00  0.251353D-01 -0.152435D+01  0.107982D+00  0.182950D+01
      3   0.136846D+01  0.382229D+00 -0.993731D+01  0.150589D+01 -0.201477D+00
                76            77            78            79            80 
      1  -0.127761D+01  0.379347D+00 -0.365252D+01 -0.304800D+01  0.123208D+01
      2  -0.441476D+00  0.365287D+00 -0.248774D+01 -0.219586D+01 -0.989472D-01
      3   0.410038D+01  0.744910D+00  0.734082D+00  0.427062D+00 -0.174473D+00
                81            82            83            84            85 
      1   0.685651D+00  0.643611D+00  0.388426D+00 -0.177096D+01  0.627348D+00
      2   0.836718D+00  0.121877D+01  0.662992D+00  0.656749D+00  0.960264D+00
      3   0.123085D+01  0.598044D+01  0.288472D+01 -0.123609D+01  0.520384D+01
                86            87            88            89            90 
      1   0.128817D+01 -0.517085D+01  0.114984D+01  0.235953D+01  0.589305D+00
      2   0.111418D+01  0.953952D+00 -0.121543D+01  0.482249D+00 -0.683266D+00
      3   0.370018D+01 -0.146608D+01 -0.127238D+01 -0.163549D+01 -0.464570D+00
                91            92            93            94            95 
      1   0.271150D+01  0.918037D+00 -0.163283D+01  0.584914D+01  0.403910D+00
      2  -0.445873D+01 -0.188290D+01 -0.652570D+01 -0.187250D+01 -0.104915D+02
      3   0.119571D+02  0.127129D+01  0.195879D+01  0.228418D+02 -0.140977D+02
                96            97            98            99           100 
      1  -0.228707D+01 -0.190714D+01  0.526309D+01  0.115752D+01  0.359082D+01
      2  -0.180265D+01 -0.337542D+02  0.851734D+00  0.633391D+01 -0.105362D+02
      3   0.102284D+02 -0.103455D+01  0.133281D+02  0.734389D+01  0.527780D+01
               101           102           103           104           105 
      1  -0.665587D+01  0.959224D+00 -0.266711D+01  0.559635D+00 -0.120561D+02
      2  -0.914044D+00  0.170298D+02 -0.278408D+01  0.195174D+02  0.329365D+01
      3  -0.146485D+02 -0.159689D+00 -0.878792D+01  0.176259D+01 -0.162920D+02
               106           107           108           109           110 
      1   0.318927D+01 -0.646621D+01 -0.378136D+01 -0.371526D+01  0.216979D+01
      2   0.184284D+02 -0.186761D+00 -0.741571D+01  0.107352D+02  0.624263D+01
      3   0.709797D+01 -0.152863D+02 -0.526122D+01 -0.758249D+01  0.635556D+01
               111           112           113           114           115 
      1   0.979221D+01 -0.882245D+01 -0.752649D+01 -0.532397D+01  0.921808D+01
      2   0.469938D+01  0.721808D+01  0.518091D+01 -0.920591D+01  0.562457D+01
      3  -0.836641D+01  0.634370D+01  0.176707D+02 -0.427127D+01 -0.151787D+02
               116           117           118           119           120 
      1   0.182096D+01  0.553242D+01  0.135119D+01 -0.942438D+00  0.112697D+01
      2  -0.268460D+01  0.317449D+01  0.398344D+01 -0.141258D+01  0.567009D+01
      3  -0.959848D+01 -0.379804D+01  0.917813D+01 -0.717489D+01  0.138147D+00
               121           122           123           124           125 
      1  -0.115907D+01  0.170832D+01 -0.282504D+01  0.983659D+00 -0.169345D+00
      2  -0.164332D+01  0.535487D+01 -0.545548D+01  0.343998D+01 -0.385862D+01
      3  -0.797606D+00  0.179934D+02 -0.470664D+01 -0.105091D+01 -0.623854D+01
               126           127           128           129           130 
      1   0.752207D+00 -0.259226D+01  0.334497D+01 -0.864622D+00  0.145835D+01
      2   0.259808D+01 -0.419816D+01  0.383449D+01 -0.606133D+01  0.370832D+01
      3   0.264906D+01 -0.496737D+01  0.458902D+01 -0.218940D+01  0.381482D+01
               131           132           133           134           135 
      1  -0.902033D+01  0.347498D+01 -0.383369D+00  0.535139D+01 -0.287741D+01
      2  -0.101722D+02  0.100259D+02 -0.300676D+01  0.507986D+01 -0.876472D+01
      3  -0.135508D+02  0.901443D+01 -0.240194D+00  0.615392D+01 -0.531618D+01
               136           137           138           139           140 
      1  -0.254884D+01 -0.274993D+01  0.708772D+00 -0.232161D+01 -0.108337D+01
      2   0.980725D+01  0.802657D+00  0.776917D+01  0.858227D+00 -0.686717D+00
      3  -0.730688D+01 -0.645328D+01  0.111359D+01 -0.388146D+01 -0.129243D+01
               141           142           143           144           145 
      1   0.386852D+00  0.890273D-01  0.145505D+01 -0.395243D+00  0.165515D+01
      2   0.112972D+01  0.102669D+01  0.102346D+01  0.538482D+00 -0.391720D+01
      3   0.223245D+01 -0.206221D+00  0.278888D+01 -0.139087D+01  0.312526D+01
               146           147           148           149           150 
      1   0.308688D+01  0.155342D+00  0.172629D+01  0.787916D+01  0.265756D+01
      2  -0.398792D+01 -0.645835D+01 -0.242561D+01 -0.126036D+02 -0.130244D+02
      3   0.447965D+01  0.251741D+01  0.365298D+01  0.142332D+02  0.106157D+02
               151           152           153           154           155 
      1  -0.365678D+00  0.533760D+01  0.260078D+01  0.386265D+01  0.334584D-01
      2  -0.354107D+01 -0.880691D+01 -0.136248D+02 -0.113434D+02 -0.220868D+01
      3  -0.332396D+00  0.811442D+01  0.821471D+01 -0.748695D+01 -0.197620D+02
               156           157           158           159           160 
      1  -0.685088D+01  0.615359D+01  0.471302D+01 -0.503609D+01 -0.408409D+01
      2   0.175669D+02 -0.235017D+01 -0.556539D+01  0.119418D+02  0.589204D+01
      3   0.206186D+00 -0.175973D+02 -0.268805D+02  0.199188D+01  0.404955D+01
               161           162           163           164           165 
      1   0.776348D+00  0.255402D+01  0.551926D+01  0.282999D+01 -0.327022D+01
      2   0.438200D+01 -0.105450D+02 -0.105019D+02 -0.599422D+01  0.213231D+01
      3   0.642876D+01 -0.304039D+01 -0.811297D+01 -0.419290D+01  0.184787D+01
               166           167           168           169           170 
      1   0.831616D+01  0.543301D+01  0.528687D+00 -0.177302D+01  0.609109D+01
      2  -0.100818D+02  0.431716D+01  0.891022D+01 -0.185484D+01  0.486287D+01
      3  -0.124277D+01 -0.624996D+01 -0.947582D+01  0.471935D+01 -0.239381D+01
               171           172           173           174           175 
      1  -0.441734D+01 -0.815179D+01 -0.375053D+01  0.119289D+01 -0.984172D+01
      2   0.216299D+02  0.194057D+02  0.459588D+01 -0.670535D+01  0.998711D+01
      3  -0.500182D+01  0.219282D+01  0.291600D+01  0.247422D+01  0.943294D+01
               176           177           178           179           180 
      1  -0.413321D+01 -0.108919D+01  0.307093D+00  0.309289D+00 -0.140407D+01
      2   0.423117D+01 -0.469313D+01 -0.302361D+01 -0.116212D+01  0.601134D+01
      3   0.177815D+01  0.108408D+01  0.267987D+01  0.118028D+01  0.625047D+00
               181           182           183           184           185 
      1   0.347002D+00  0.373827D+01  0.569607D+01  0.255663D+01  0.693970D+00
      2  -0.571433D+01  0.166572D+01  0.776923D+01 -0.386852D+01 -0.638884D+01
      3  -0.213297D+02  0.380731D+01 -0.193096D+01 -0.197370D+02 -0.776330D+01
               186           187           188           189           190 
      1  -0.247360D+01  0.113692D+02  0.450280D+01 -0.229421D+01 -0.129271D+01
      2  -0.266519D+01 -0.415394D+01 -0.988715D+01  0.280852D+01 -0.338493D+01
      3   0.435208D+01  0.678572D+01  0.434610D+01 -0.954316D+00  0.110833D+02
               191           192           193           194           195 
      1   0.286271D+01 -0.296471D+01  0.247221D+01  0.161063D+01  0.299972D+01
      2   0.575970D+01  0.835899D+00  0.105311D+02 -0.143308D+01 -0.914862D+00
      3   0.158742D+02 -0.453878D+01  0.378728D+02 -0.577949D+01  0.132214D+00
               196           197           198           199           200 
      1  -0.641351D+00  0.144733D+02 -0.420778D+01 -0.548266D+00 -0.310259D+01
      2   0.436670D+00  0.151829D+01 -0.521336D+00 -0.355503D+01 -0.683464D+01
      3  -0.103655D+02 -0.332015D-01  0.492156D+01 -0.364011D+02 -0.277419D+02
               201           202           203           204           205 
      1   0.104279D+01 -0.256018D+01  0.172200D+01 -0.375916D+01 -0.774651D+01
      2   0.479563D+01 -0.424942D+01  0.870526D+01  0.270213D+01 -0.146018D+02
      3   0.761446D+01  0.105544D+02  0.829790D+01 -0.596001D+01  0.356130D+01
               206           207           208           209           210 
      1   0.278650D+01  0.760730D+00  0.118644D+01 -0.249405D+01  0.368132D+01
      2   0.166491D+02 -0.701507D+01  0.162572D+01 -0.713666D+01  0.141119D+02
      3  -0.709848D+01 -0.756072D+01 -0.244961D+01 -0.397225D+02  0.631360D+01
               211           212           213           214           215 
      1   0.305044D+00 -0.188821D+01 -0.480897D+01  0.114299D+01 -0.145764D+01
      2  -0.244139D+01 -0.278760D+01 -0.559215D+01 -0.554957D+01  0.338762D+01
      3  -0.252407D+01 -0.580462D+01  0.263234D+01  0.211838D+01  0.274598D+01
               216           217           218           219           220 
      1   0.126994D+01  0.718324D+00  0.102811D+01 -0.922245D+00 -0.996661D+00
      2  -0.454404D+00  0.796013D+01  0.343232D+01 -0.118700D+01  0.425505D+01
      3  -0.391892D+01  0.370667D+02  0.279419D+01 -0.491458D+01  0.180547D+02
               221           222           223           224           225 
      1   0.261183D+01  0.670475D+01 -0.110139D+02  0.885439D+01 -0.437986D+01
      2   0.939643D+01  0.334302D+02 -0.166971D+02  0.256419D+02 -0.212646D+02
      3  -0.294243D+02 -0.108768D+02 -0.479730D+01 -0.813382D+01 -0.256550D+02
               226           227           228           229           230 
      1   0.138389D+00 -0.262214D+00 -0.143868D+01  0.175015D-01 -0.778435D+00
      2   0.206179D+01  0.173098D+01 -0.137589D+00  0.146272D+01  0.428939D+01
      3   0.775387D+01  0.544235D+01 -0.186696D+01  0.583913D+01  0.164029D+02
               231           232           233           234           235 
      1  -0.402799D+01  0.711614D+00  0.299043D+01  0.269715D+00 -0.942125D+00
      2  -0.122671D+01 -0.644910D+00 -0.985974D+00  0.384258D-01 -0.248098D+01
      3  -0.429287D+01 -0.195862D+01 -0.449853D+01  0.475231D+00 -0.565379D+01
               236           237           238           239           240 
      1   0.639106D+00  0.140375D+01 -0.314077D+00 -0.576068D+00 -0.281681D+01
      2  -0.142150D+00  0.134422D+01 -0.141252D+01  0.169849D+01 -0.302235D+01
      3  -0.380138D+01  0.929701D+00 -0.496555D+01  0.126551D+02 -0.167973D+01
               241           242           243           244           245 
      1  -0.255623D+01  0.144648D+01  0.488035D+00  0.114153D+00 -0.131089D+00
      2  -0.249409D+01 -0.117865D+00  0.106357D+01 -0.131647D+01 -0.100942D+01
      3   0.243614D+01 -0.266974D+01  0.127843D+01 -0.398130D+01 -0.397025D+01
               246           247           248           249           250 
      1  -0.148448D+01  0.200993D+00 -0.325787D+00 -0.355509D+01 -0.925388D-01
      2   0.221472D+01 -0.139767D+01 -0.402610D+01  0.426529D+01 -0.168708D+01
      3   0.880695D+00 -0.225300D+01 -0.168999D+02  0.382493D+01  0.120989D+01
               251           252           253           254           255 
      1   0.194815D+01  0.529449D+00  0.153308D+00 -0.196155D+00 -0.114398D+01
      2   0.530870D+00 -0.780385D+00 -0.568615D+01 -0.413434D+00 -0.216618D+01
      3   0.439465D+01 -0.340633D+00  0.214794D+01  0.261428D+01  0.134264D+01
               256           257           258           259           260 
      1   0.126860D+01 -0.162368D+01 -0.495868D+01  0.250120D+01 -0.116080D+01
      2   0.465955D+01 -0.139283D+02 -0.161812D+02  0.761002D+01 -0.160204D+02
      3  -0.107493D+02  0.326616D+02  0.153247D+02 -0.575296D+01  0.185701D+02
               261           262           263           264           265 
      1  -0.441491D+01  0.347695D+00 -0.262967D+00 -0.456375D+00 -0.800463D+00
      2  -0.159823D+02  0.754877D+01 -0.166315D+01  0.188351D+00 -0.531029D+01
      3   0.163912D+02 -0.175203D+00  0.851661D+00  0.643362D+00 -0.641447D+01
               266           267           268           269           270 
      1   0.956574D+00 -0.326903D+01  0.397338D+01  0.217673D-01  0.772437D+01
      2   0.800559D+01 -0.134127D+02  0.146463D+02 -0.156706D+02  0.382085D+02
      3   0.132970D+02 -0.832408D+01  0.654663D+01 -0.128014D+02  0.155892D+02
               271           272           273           274           275 
      1  -0.100833D+01 -0.412402D+00  0.566053D+00 -0.195342D+00 -0.490575D+00
      2  -0.638473D+01 -0.704074D+00  0.972529D+01 -0.166960D+01 -0.206179D+01
      3  -0.207150D+02 -0.107107D+02  0.170516D+01 -0.113184D+02 -0.787446D+01
               276           277           278           279 
      1  -0.638918D+00  0.163294D+01  0.204330D+00  0.180669D-01
      2   0.251776D+01  0.823939D+01 -0.915297D+00 -0.146762D+01
      3   0.246508D+01  0.227017D+01  0.322487D+01  0.261045D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899907D+02  0.543915D+02 -0.917192D+01 -0.809284D+02 -0.384889D+00
      2   0.496049D+02 -0.352510D+02  0.619427D+01  0.458243D+02  0.246069D+01
      3   0.403857D+02 -0.191405D+02  0.297765D+01  0.351041D+02 -0.207580D+01
      4   0.564743D+02 -0.593659D+01 -0.142005D+01 -0.700696D+01 -0.316385D+01
      5  -0.187705D+02  0.576801D+00  0.112957D+01 -0.269491D+01  0.307819D+01
      6   0.909726D+00  0.191691D+01  0.852914D+00  0.229037D+01 -0.272645D+01
                 6             7             8             9            10 
      1   0.218638D+01  0.251827D+02 -0.582248D+01 -0.103190D+02  0.993251D+02
      2  -0.367665D+01 -0.125249D+02  0.286020D+01 -0.992791D+00 -0.470007D+02
      3   0.149027D+01 -0.126578D+02  0.296228D+01  0.113118D+02 -0.523244D+02
      4   0.170268D+01 -0.175444D+01  0.131679D+01  0.100444D+01 -0.228898D+02
      5   0.296807D+00  0.232330D+01 -0.185137D+01  0.398988D+00  0.867182D+01
      6   0.708612D+00  0.161366D+01  0.360640D+01  0.187705D+01 -0.671810D+01
                11            12            13            14            15 
      1  -0.110100D+02 -0.459545D+01  0.827004D+02 -0.331534D+02  0.137906D+01
      2   0.592123D+01  0.172291D+01 -0.403797D+02  0.276935D+02 -0.555482D+01
      3   0.508876D+01  0.287254D+01 -0.423207D+02  0.545997D+01  0.417576D+01
      4   0.497978D+01 -0.198735D+01 -0.174402D+02  0.135561D+02 -0.184065D+01
      5  -0.698330D+01 -0.798364D+01  0.857003D+01 -0.262224D+01  0.731129D-01
      6   0.232445D+01  0.123679D+01 -0.227781D+01 -0.341523D+01 -0.867876D+00
                16            17            18            19            20 
      1  -0.269688D+02  0.698763D+01 -0.853047D+01  0.565903D+02 -0.599005D+02
      2   0.141038D+02 -0.544246D+01  0.184571D+00 -0.328921D+02  0.446843D+02
      3   0.128651D+02 -0.154518D+01  0.834590D+01 -0.236983D+02  0.152162D+02
      4   0.646098D+01 -0.220050D+01  0.337969D+01 -0.523944D+02  0.418035D+01
      5  -0.259523D+01  0.371083D+01  0.458335D+00  0.205601D+02 -0.874675D+00
      6   0.440003D+01  0.554211D+01  0.159377D+01 -0.116510D+01 -0.231755D+01
                21            22            23            24            25 
      1   0.111028D+02  0.570046D+01  0.340180D+02 -0.803698D+01 -0.446212D+01
      2  -0.825462D+01 -0.143691D+02 -0.346366D+02  0.912372D+01  0.639579D+01
      3  -0.284815D+01  0.866864D+01  0.618552D+00 -0.108674D+01 -0.193367D+01
      4   0.504680D+00  0.234150D+02 -0.534986D+01  0.398429D+01 -0.362236D+01
      5  -0.439581D+01 -0.103643D+02  0.594651D+01  0.635317D+01  0.416574D+01
      6   0.156853D+01  0.860964D+01  0.892065D+01  0.126819D+01  0.143233D+01
                26            27            28            29            30 
      1  -0.390543D+01 -0.606480D+01  0.106684D+01  0.661475D+01  0.124433D+01
      2   0.818620D+01 -0.819293D+01 -0.149517D+02 -0.893559D+01  0.262867D-02
      3  -0.428077D+01  0.142577D+02  0.138848D+02  0.232083D+01 -0.124696D+01
      4   0.612373D+01  0.260402D+01  0.178652D+02  0.116790D+02 -0.558170D-01
      5   0.931133D+01 -0.294874D+01 -0.185826D+02  0.284675D+01  0.958089D+01
      6   0.391139D+01  0.765355D+00  0.102964D+02 -0.953053D-01 -0.293730D+01
                31            32            33            34            35 
      1   0.241377D+02 -0.743321D+02  0.142177D+02 -0.560403D+01  0.166283D+02
      2  -0.176431D+02  0.704941D+02 -0.181968D+02  0.173781D+01 -0.171240D+02
      3  -0.649456D+01  0.383801D+01  0.397907D+01  0.386622D+01  0.495700D+00
      4  -0.414696D+02  0.266228D+01  0.276988D+01  0.212513D+02  0.127578D+01
      5   0.163637D+02  0.161761D+01 -0.141372D+01  0.317494D+02 -0.579061D+01
      6   0.217660D+01 -0.105912D+02  0.904921D-01 -0.562547D+01  0.747833D+01
                36            37            38            39            40 
      1  -0.261070D+01 -0.772057D+01  0.765096D+02 -0.181699D+02 -0.197793D+02
      2  -0.455144D+01  0.134628D+01 -0.645862D+02  0.981455D+01  0.211495D+02
      3   0.716214D+01  0.637429D+01 -0.119234D+02  0.835538D+01 -0.137024D+01
      4   0.252658D+01  0.289134D+01 -0.193335D+02  0.348288D+01  0.132995D+02
      5  -0.151627D+00  0.280670D+00 -0.743752D+00  0.541094D+01  0.566717D+01
      6   0.509995D+01 -0.349295D+01  0.686037D+01 -0.154907D+02 -0.139371D+02
                41            42            43            44            45 
      1   0.357822D+02 -0.122619D+02  0.708756D+01 -0.176566D+02 -0.104623D+02
      2  -0.369739D+02  0.109972D+02 -0.139718D+02  0.201162D+02  0.100612D+01
      3   0.119165D+01  0.126475D+01  0.688426D+01 -0.245961D+01  0.945618D+01
      4   0.779755D+01 -0.778359D+01  0.277121D+01 -0.592056D+01 -0.937544D+01
      5  -0.880526D+01 -0.516189D+01  0.208057D+02 -0.659347D+01  0.471548D+01
      6   0.116475D+02  0.253795D+01 -0.198407D+02  0.127738D+02  0.684810D+00
                46            47            48            49            50 
      1   0.106448D+02 -0.554156D+02  0.106633D+02  0.176335D+02 -0.235678D+01
      2  -0.810281D+01  0.485797D+02 -0.458896D+01 -0.154464D+02 -0.363529D+01
      3  -0.254198D+01  0.683595D+01 -0.607437D+01 -0.218713D+01  0.599207D+01
      4   0.911416D+01 -0.563849D+01  0.191628D+01  0.446119D+00 -0.969354D+01
      5  -0.114761D+01  0.608098D+01 -0.287960D+01  0.695571D+00  0.233573D+01
      6   0.461432D+01 -0.210147D+01  0.118556D+02  0.382536D+01  0.140106D+02
                51            52            53            54            55 
      1  -0.712399D+01 -0.556525D+01 -0.312800D+01 -0.241919D+02  0.111824D+01
      2   0.973938D+01  0.730035D+01  0.138648D+02  0.101457D+02 -0.313251D+01
      3  -0.261539D+01 -0.173510D+01 -0.107368D+02  0.140461D+02  0.201427D+01
      4   0.511095D+01  0.186574D+01  0.689418D+01  0.590782D+01 -0.390936D+02
      5   0.444173D+00  0.500329D+01  0.612147D+00 -0.663323D-02  0.742392D+01
      6   0.511313D+01  0.408447D+01  0.232833D+02 -0.868356D+01  0.345508D+01
                56            57            58            59            60 
      1  -0.583718D+02  0.117277D+02  0.196764D+01  0.222750D+02 -0.111283D+02
      2   0.383180D+02 -0.302072D+01 -0.499078D+01 -0.183565D+02  0.101842D+02
      3   0.200538D+02 -0.870703D+01  0.302314D+01 -0.391856D+01  0.944141D+00
      4  -0.299497D+02  0.656649D+01  0.323886D+02 -0.179755D+02  0.830118D-01
      5   0.772695D+01 -0.152305D+02 -0.853855D+01  0.634619D+00 -0.908635D+00
      6  -0.668833D+00  0.989474D+01  0.255580D+01  0.110535D+02  0.339762D+01
                61            62            63            64            65 
      1  -0.176786D+01 -0.734491D+01 -0.214399D+02  0.277987D+01 -0.877653D+00
      2   0.289541D+01  0.144268D+02  0.347960D+01 -0.730297D+00  0.176051D+01
      3  -0.112754D+01 -0.708185D+01  0.179603D+02 -0.204957D+01 -0.882855D+00
      4  -0.581391D+01  0.253692D+01 -0.984196D+01  0.698412D+01  0.912490D+01
      5   0.904308D+00 -0.119254D+02  0.897849D+01 -0.212406D+01 -0.228462D+01
      6   0.115635D+01  0.164415D+02 -0.570781D+01 -0.143420D+01 -0.130449D+01
                66            67            68            69            70 
      1   0.232676D+00 -0.400439D+01 -0.158137D+02  0.422719D+01  0.684856D+00
      2   0.164415D+00  0.534789D+01  0.173677D+02 -0.192752D+01 -0.821877D-01
      3  -0.397091D+00 -0.134350D+01 -0.155396D+01 -0.229967D+01 -0.602668D+00
      4  -0.173556D+01  0.118003D+02  0.167569D+02 -0.360979D+01 -0.286707D+01
      5   0.278955D+01 -0.340966D+01 -0.378443D+01  0.367545D+01  0.189333D+01
      6   0.112624D+01 -0.284381D+01 -0.670968D+01  0.532263D+01  0.226246D+01
                71            72            73            74            75 
      1   0.293816D+01 -0.346482D+01  0.225858D+01  0.534459D+01 -0.101999D+01
      2  -0.255004D+01  0.240921D+01  0.981746D+01 -0.157499D+02  0.192513D+01
      3  -0.388117D+00  0.105561D+01 -0.120760D+02  0.104053D+02 -0.905146D+00
      4  -0.416437D+01  0.231801D+01 -0.280705D+02  0.248250D+02 -0.374752D+01
      5   0.749924D+00 -0.154366D+01  0.409427D+01 -0.386938D+01  0.403139D+01
      6   0.324202D+01 -0.260489D+01 -0.265795D+01  0.314645D+01 -0.350372D+01
                76            77            78            79            80 
      1   0.995973D+01 -0.212641D+02  0.376365D+01 -0.263804D+01  0.440548D+01
      2  -0.217695D+02  0.377801D+02 -0.474635D+01  0.559709D+01 -0.677330D+01
      3   0.118098D+02 -0.165160D+02  0.982707D+00 -0.295905D+01  0.236782D+01
      4   0.276061D+02 -0.343087D+02  0.559004D+01 -0.511478D+01  0.601875D+01
      5  -0.532228D+01  0.566870D+01 -0.438142D+01  0.405206D+00 -0.262172D+01
      6   0.597942D+01 -0.711795D+01  0.669522D+01  0.102291D+01  0.339634D+01
                81            82            83            84            85 
      1  -0.946183D+00 -0.635223D+01 -0.113184D+02  0.327014D+01 -0.845164D+01
      2   0.207452D+01  0.942845D+01  0.166272D+02 -0.343548D+01  0.112862D+02
      3  -0.112834D+01 -0.307622D+01 -0.530881D+01  0.165333D+00 -0.283451D+01
      4  -0.258887D+01  0.840268D+01  0.165409D+02 -0.370051D+01  0.977665D+01
      5   0.154810D+01 -0.140590D+01 -0.246221D+01  0.281479D+01 -0.168274D+01
      6  -0.239657D+01 -0.307130D+01 -0.506375D+01  0.348664D+01 -0.328701D+01
                86            87            88            89            90 
      1  -0.483569D+02  0.119751D+02  0.242666D+01  0.122811D+02 -0.370147D+01
      2   0.661768D+02 -0.129835D+02 -0.347012D+01 -0.156517D+02  0.409825D+01
      3  -0.178200D+02  0.100836D+01  0.104346D+01  0.337064D+01 -0.396783D+00
      4   0.219598D+02 -0.476941D+01 -0.317354D+01 -0.513815D+01  0.257952D+01
      5  -0.234481D+01  0.186467D+01  0.850358D+00  0.240303D+01 -0.135832D+01
      6  -0.172599D+02  0.111632D+02  0.461066D+00  0.604363D+01 -0.386625D+01
                91            92            93            94            95 
      1   0.218006D+00  0.545060D+01 -0.143807D+02  0.698515D+00 -0.814506D+01
      2   0.456760D+01 -0.251337D+00  0.605779D+00  0.602288D+01 -0.308955D+01
      3  -0.478560D+01 -0.519927D+01  0.137750D+02 -0.672140D+01  0.112346D+02
      4  -0.455667D+01 -0.179103D+02 -0.294046D+01 -0.210808D+02  0.285363D+02
      5   0.898637D+00 -0.462925D+01 -0.200941D+02  0.888148D+00 -0.174816D+02
      6  -0.379381D+01  0.851443D+00  0.850380D+00 -0.449531D+01  0.380073D+01
                96            97            98            99           100 
      1  -0.169308D+01  0.100073D+01 -0.285258D+01 -0.184692D+02 -0.739826D+02
      2   0.151314D+01 -0.160907D+02  0.752340D+01  0.189342D+02  0.427182D+02
      3   0.179939D+00  0.150899D+02 -0.467081D+01 -0.465016D+00  0.312644D+02
      4  -0.199657D+02 -0.610483D+01 -0.203269D+02 -0.397239D+01  0.253838D+01
      5  -0.430413D+01 -0.611155D+02  0.273001D+01  0.203520D+02  0.397131D+02
      6   0.352667D+01  0.234926D+01 -0.196947D+01 -0.174744D+01  0.183648D+00
               101           102           103           104           105 
      1  -0.132668D+01  0.289106D+02 -0.865903D+01  0.333933D+02  0.624694D+01
      2   0.316435D+00 -0.819865D+01  0.200286D+01 -0.718989D+01 -0.177873D+01
      3   0.101025D+01 -0.207119D+02  0.665616D+01 -0.262034D+02 -0.446821D+01
      4   0.206164D+02  0.800251D+00  0.195973D+02 -0.340302D+01  0.250650D+02
      5   0.251765D+01  0.984182D+01  0.441748D+01  0.162730D+02  0.438674D+01
      6  -0.123572D+02 -0.136435D+01 -0.706028D+01 -0.205002D+01 -0.202195D+02
               106           107           108           109           110 
      1   0.583587D+01  0.470973D+01  0.170542D+02 -0.607071D+02 -0.239563D+02
      2   0.153349D+02 -0.387625D+01 -0.229267D+02  0.200839D+02  0.147886D+01
      3  -0.211708D+02 -0.833482D+00  0.587242D+01  0.406232D+02  0.224774D+02
      4  -0.463530D+00  0.215001D+02  0.175166D+01 -0.437712D+02 -0.266907D+02
      5   0.388299D+02 -0.909111D+00 -0.320520D+02  0.942855D+01  0.130906D+01
      6  -0.258011D+01 -0.147291D+02 -0.387352D+01  0.850202D+00  0.381069D+01
               111           112           113           114           115 
      1   0.529377D+01 -0.332454D+02 -0.153288D+02  0.110067D+02  0.339638D+02
      2  -0.352857D+01  0.704019D+01  0.192316D+01  0.982552D-01 -0.123582D+02
      3  -0.176520D+01  0.262052D+02  0.134056D+02 -0.111050D+02 -0.216056D+02
      4   0.438738D+01 -0.157998D+02 -0.251395D+02  0.124927D+02  0.205171D+02
      5   0.763496D+00  0.100170D+01  0.932702D+01 -0.521486D+01  0.190699D+02
      6  -0.407901D+01  0.462210D+01 -0.168356D+01 -0.855941D+00  0.308386D+01
               116           117           118           119           120 
      1   0.858314D+01  0.197473D+02  0.142971D+02 -0.117352D+02  0.647825D+01
      2  -0.783349D+00 -0.167019D+01 -0.157139D+01  0.209492D+01 -0.174537D+01
      3  -0.779979D+01 -0.180771D+02 -0.127257D+02  0.964031D+01 -0.473289D+01
      4   0.203361D+02  0.454119D+01 -0.234336D+02  0.226575D+02 -0.223589D+01
      5   0.215710D+01  0.717539D+00  0.814516D+01 -0.177098D+01  0.112529D+02
      6  -0.939500D+00 -0.237363D+01 -0.213346D+01  0.118545D+01 -0.109037D+01
               121           122           123           124           125 
      1  -0.195436D+02  0.386018D+01 -0.118436D+01  0.873389D+01  0.436073D+00
      2   0.529436D+01  0.116616D+02 -0.259731D+01 -0.318425D+01 -0.349953D+01
      3   0.142493D+02 -0.155218D+02  0.378167D+01 -0.554964D+01  0.306345D+01
      4   0.231800D+02 -0.432321D+02  0.102159D+02 -0.409812D+01  0.138614D+02
      5  -0.273050D+01  0.935197D+01 -0.108020D+02  0.135655D+02 -0.878273D+01
      6   0.126741D+01 -0.354534D+01  0.429871D+01 -0.252203D+01  0.611211D+01
               126           127           128           129           130 
      1   0.400117D+01 -0.183181D+01  0.784221D+01 -0.109163D+02  0.112192D+02
      2  -0.209923D+01  0.559806D+00 -0.302670D+01 -0.542174D-01 -0.682046D+01
      3  -0.190193D+01  0.127200D+01 -0.481551D+01  0.109706D+02 -0.439876D+01
      4  -0.945415D+01  0.362856D+01 -0.647134D+01  0.266602D+01 -0.434079D+00
      5   0.556534D+01 -0.417649D+00 -0.111467D+00 -0.606646D+01 -0.833972D+01
      6  -0.322614D+01 -0.352719D+01  0.595251D+01 -0.306992D+01  0.138194D+01
               131           132           133           134           135 
      1  -0.170079D+02  0.111651D+02 -0.533842D+01  0.665348D+01 -0.139003D+02
      2   0.557679D+01  0.328628D+01  0.135781D+01  0.163948D+01 -0.189143D+01
      3   0.114311D+02 -0.144514D+02  0.398061D+01 -0.829296D+01  0.157918D+02
      4   0.225265D+02 -0.147938D+02 -0.903023D-01 -0.110133D+02  0.846162D+01
      5  -0.105588D+02  0.162009D+02  0.211661D+01  0.630096D+01 -0.103784D+02
      6  -0.166343D+02  0.134369D+02 -0.293833D+00  0.109121D+02 -0.796980D+01
               136           137           138           139           140 
      1   0.110681D+03 -0.148315D+01 -0.204315D+02  0.297757D+01  0.543939D+01
      2  -0.668964D+02  0.654556D+00  0.192651D+02 -0.269121D+01 -0.378570D+01
      3  -0.437841D+02  0.828591D+00  0.116641D+01 -0.286367D+00 -0.165369D+01
      4  -0.616751D+01  0.115094D+02  0.251546D+01  0.130937D+02  0.448459D+00
      5  -0.647010D+02  0.194064D+01  0.308284D+02 -0.246968D+01 -0.621231D+01
      6   0.285508D+01 -0.406218D+01 -0.161521D+01 -0.386504D+01 -0.107208D+00
               141           142           143           144           145 
      1  -0.897030D+00 -0.897268D+01 -0.132136D+01  0.851155D+01  0.343492D+00
      2   0.144831D+01  0.937742D+01  0.551119D+00 -0.727057D+01 -0.928127D+00
      3  -0.551280D+00 -0.404740D+00  0.770244D+00 -0.124097D+01  0.584635D+00
      4  -0.508065D+01 -0.638995D+00 -0.366963D+01  0.500186D+00 -0.329646D+01
      5   0.215366D+01  0.182210D+02  0.122393D+01 -0.797303D+01 -0.325346D+01
      6   0.401924D+01 -0.148336D+00  0.293895D+01  0.539908D+00  0.380570D+01
               146           147           148           149           150 
      1  -0.911959D+01 -0.129347D+02 -0.857250D+01 -0.203494D+02 -0.159334D+02
      2   0.374199D+01  0.168549D+01  0.580928D+01  0.947534D+01 -0.232989D+00
      3   0.537760D+01  0.112492D+02  0.276323D+01  0.108740D+02  0.161663D+02
      4  -0.495622D+01 -0.271113D+01  0.341474D+01 -0.257822D+02 -0.205130D+02
      5  -0.400025D+00 -0.469310D+01  0.852985D+01 -0.162532D+02 -0.214899D+02
      6   0.656530D+01  0.494517D+01 -0.328251D+00  0.217815D+02  0.199889D+02
               151           152           153           154           155 
      1  -0.530658D+01 -0.113755D+02 -0.199050D+02  0.144408D+03  0.381612D+02
      2   0.258356D+01 -0.576651D-01 -0.242190D+01 -0.603289D+02 -0.889360D+01
      3   0.272302D+01  0.114332D+02  0.223269D+02 -0.840791D+02 -0.292676D+02
      4   0.260496D+01 -0.150911D+02 -0.145750D+02  0.703916D+02  0.468450D+02
      5   0.438118D+01 -0.127063D+02 -0.196759D+02  0.180641D+01  0.289424D+01
      6  -0.303805D+00  0.155308D+02  0.160377D+02 -0.170502D+01 -0.682517D+00
               156           157           158           159           160 
      1  -0.967556D+01  0.480978D+02  0.309491D+02 -0.522825D+01 -0.131763D+02
      2   0.152461D+01 -0.690402D+01  0.529524D+01 -0.148072D+01  0.282138D+01
      3   0.815095D+01 -0.411938D+02 -0.362444D+02  0.670897D+01  0.103549D+02
      4  -0.129047D+01  0.664671D+02  0.620241D+02 -0.873271D+01 -0.928235D+01
      5   0.276614D+02 -0.206871D+01 -0.390670D+01  0.163931D+02  0.282968D+02
      6   0.713479D+01  0.676838D+00  0.698748D+00  0.818706D+01  0.880574D+01
               161           162           163           164           165 
      1  -0.369281D+01  0.160734D+02  0.350410D+02  0.149424D+02  0.100485D+02
      2  -0.241775D+01 -0.793209D+01 -0.205377D+02 -0.461768D+01 -0.792774D+01
      3   0.611057D+01 -0.814128D+01 -0.145033D+02 -0.103248D+02 -0.212077D+01
      4  -0.136640D+02  0.144145D+02  0.282482D+02  0.145387D+02  0.232387D+01
      5   0.127897D+02 -0.130784D+02  0.214398D+02  0.347889D+01  0.159619D+02
      6   0.716800D+01 -0.256726D+01  0.109702D+02  0.190098D+01  0.895084D+00
               166           167           168           169           170 
      1   0.196985D+02 -0.401848D+01 -0.111261D+02 -0.754853D+01 -0.902920D+01
      2  -0.907022D+01  0.388594D+01  0.278930D+01 -0.167302D+01  0.210723D+01
      3  -0.106283D+02  0.132536D+00  0.833677D+01  0.922155D+01  0.692198D+01
      4   0.176279D+02  0.110307D+02  0.112368D+02 -0.436258D+01  0.169107D+01
      5   0.114530D+02  0.129670D+02  0.128988D+02  0.152501D+02  0.658809D+01
      6   0.390081D+01  0.916105D+01  0.128052D+02  0.104002D+01  0.103079D+02
               171           172           173           174           175 
      1  -0.260419D+02 -0.376833D+02 -0.891092D+01  0.963171D+01 -0.211510D+02
      2  -0.141782D+02  0.182400D+02  0.289925D+01  0.233005D+01  0.119026D+02
      3   0.402201D+02  0.194433D+02  0.601167D+01 -0.119618D+02  0.924836D+01
      4   0.465199D+01 -0.246585D+02 -0.109175D+02 -0.165595D+01 -0.170279D+02
      5   0.437872D+02 -0.154894D+02 -0.521661D+01 -0.122806D+02 -0.114266D+02
      6   0.130107D+02 -0.811358D+01 -0.487342D+01 -0.359531D+01 -0.555557D+01
               176           177           178           179           180 
      1  -0.104327D+02  0.313495D+01 -0.710477D+00  0.993611D+00 -0.112232D+02
      2   0.490938D+01  0.317658D+01  0.609432D+01  0.589165D+00  0.220470D+01
      3   0.552333D+01 -0.631153D+01 -0.538385D+01 -0.158278D+01  0.901848D+01
      4  -0.695020D+01  0.603146D+00 -0.679451D+01 -0.638627D+00 -0.514679D+01
      5  -0.633728D+00 -0.967050D+01 -0.750816D+01 -0.217143D+01  0.231355D+01
      6  -0.311129D+01  0.994468D+00 -0.336855D+01  0.150650D+01 -0.181878D+01
               181           182           183           184           185 
      1  -0.473899D+00  0.640774D+02 -0.143459D+02 -0.764090D+02  0.346380D+02
      2  -0.100388D+01 -0.429969D+02  0.376371D+01  0.491620D+02 -0.261773D+02
      3   0.147778D+01 -0.210804D+02  0.105821D+02  0.272470D+02 -0.846070D+01
      4   0.337205D+02  0.367473D+02 -0.905128D+01  0.362643D+02  0.213303D+02
      5  -0.411289D+01 -0.112203D+02  0.194189D+02 -0.105731D+01 -0.136306D+02
      6  -0.299552D+01  0.501126D+01 -0.123366D+02 -0.104755D+02  0.909120D+01
               186           187           188           189           190 
      1  -0.481740D+01  0.210452D+02 -0.143339D+02  0.238931D+01  0.133059D+03
      2   0.476833D+01 -0.216527D+02  0.139790D+02 -0.848853D+01 -0.752930D+02
      3   0.490665D-01  0.607452D+00  0.354875D+00  0.609923D+01 -0.577665D+02
      4  -0.137320D+02 -0.695249D+01 -0.152640D+02 -0.123597D+02 -0.196008D+02
      5  -0.626362D+01  0.282938D+02 -0.137108D+02  0.915745D+01  0.875953D+01
      6   0.409133D+01 -0.137619D+02  0.928004D+01  0.132004D+01  0.203130D+01
               191           192           193           194           195 
      1  -0.423799D+02  0.398591D+01  0.215714D+01 -0.272738D+02  0.126809D+02
      2   0.276082D+02 -0.214964D+01 -0.572168D+01  0.272584D+02 -0.143689D+02
      3   0.147716D+02 -0.183627D+01  0.356454D+01  0.154355D-01  0.168803D+01
      4   0.313683D+02 -0.502843D+01 -0.275789D+02 -0.603702D+02  0.149124D+02
      5  -0.620675D+01  0.685137D+01  0.176807D+02  0.148192D+02 -0.516424D+01
      6   0.906835D-01  0.513183D+01  0.573986D+01 -0.951783D+01 -0.187006D+01
               196           197           198           199           200 
      1  -0.227211D+01  0.146681D+02  0.227275D+02 -0.112223D+03  0.171376D+02
      2   0.279822D+01 -0.118051D+02 -0.200667D+02  0.543776D+02 -0.787179D+01
      3  -0.526107D+00 -0.286300D+01 -0.266085D+01  0.578454D+02 -0.926582D+01
      4   0.203343D+02  0.930046D+01 -0.738537D+01  0.206109D+02 -0.341035D+02
      5   0.477398D+02 -0.136806D+02  0.172956D+01 -0.551680D+01  0.144663D+02
      6  -0.188783D+01  0.729344D+01  0.397569D+01  0.679083D+01 -0.124884D+01
               201           202           203           204           205 
      1   0.200212D+01  0.916419D+02 -0.167349D+02 -0.449088D+01 -0.154117D+02
      2  -0.105523D+01 -0.577919D+02  0.131058D+01  0.615790D+01  0.128636D+02
      3  -0.946898D+00 -0.338500D+02  0.154243D+02 -0.166702D+01  0.254813D+01
      4   0.102663D+02 -0.116504D+02  0.300562D+02  0.317583D+01  0.509263D+01
      5   0.163604D+01  0.382137D+01  0.230922D+01  0.922905D+01  0.566020D+01
      6   0.106290D+00  0.585926D+01  0.112527D+02  0.411031D+01  0.298261D+01
               206           207           208           209           210 
      1   0.151916D+01 -0.156708D+02  0.273103D+01  0.358026D+02 -0.580356D+01
      2   0.680718D+01 -0.178296D+01 -0.321037D+01 -0.223014D+02  0.256919D+01
      3  -0.832634D+01  0.174538D+02  0.479334D+00 -0.135011D+02  0.323437D+01
      4   0.927199D+01  0.243554D+02  0.270132D+02  0.258690D+01  0.379053D+01
      5   0.253099D+02 -0.140030D+02 -0.767070D+01  0.440546D+01  0.241062D+02
      6   0.126010D+02 -0.145773D+01  0.807363D+00 -0.101497D+01 -0.635507D+01
               211           212           213           214           215 
      1   0.100365D+02  0.968550D+01 -0.371086D+01 -0.132606D+01 -0.386390D+01
      2  -0.273723D+01 -0.308754D+01  0.530084D+01  0.194400D+01  0.357545D+01
      3  -0.729931D+01 -0.659796D+01 -0.158998D+01 -0.617941D+00  0.288446D+00
      4   0.330084D+02  0.119791D+02 -0.546729D+01 -0.721930D+01 -0.100067D+00
      5  -0.782253D+01 -0.447597D+01 -0.100114D+02  0.107640D+02  0.503306D+01
      6  -0.115420D+01  0.183422D+01  0.777433D+01  0.229828D+01  0.248142D+01
               216           217           218           219           220 
      1   0.306512D+01 -0.708143D+02 -0.449693D+02  0.152556D+02 -0.562232D+02
      2  -0.214174D+01  0.428760D+02  0.226345D+02 -0.800299D+01  0.281642D+02
      3  -0.923377D+00  0.279383D+02  0.223347D+02 -0.725256D+01  0.280590D+02
      4   0.678482D+01 -0.428399D+02  0.140491D+02  0.160215D+01 -0.143048D+02
      5  -0.244567D+01  0.148918D+02  0.181501D+01 -0.566906D+01  0.695273D+01
      6  -0.283368D+01 -0.152566D+01 -0.981089D+00  0.167249D+01  0.242244D+01
               221           222           223           224           225 
      1   0.114678D+02  0.103288D+02  0.162766D+02  0.784554D+01  0.133473D+01
      2  -0.101912D+02 -0.124834D+02 -0.375338D+01 -0.101072D+02 -0.141924D+01
      3  -0.127661D+01  0.215461D+01 -0.125232D+02  0.226165D+01  0.845151D-01
      4   0.290497D+02  0.221849D+02  0.564482D+01  0.156547D+02  0.415586D+02
      5   0.224496D+02  0.647687D+02 -0.248493D+02  0.453127D+02 -0.399456D+02
      6  -0.866746D+01 -0.183911D+02  0.111912D+02 -0.142409D+02  0.781713D+01
               226           227           228           229           230 
      1  -0.694055D+01 -0.157490D+02  0.449360D+01 -0.760458D+01 -0.439219D+02
      2   0.682645D+01  0.147038D+02 -0.308412D+01  0.715552D+01  0.496688D+02
      3   0.114103D+00  0.104516D+01 -0.140948D+01  0.449056D+00 -0.574691D+01
      4   0.188272D+00  0.517197D+01 -0.758760D+00  0.257613D+01 -0.933873D+01
      5   0.250473D+00 -0.488593D+00  0.124975D+01  0.291811D-01  0.379798D+01
      6  -0.227215D+01 -0.427551D+01  0.275414D+01 -0.196302D+01 -0.148467D+02
               231           232           233           234           235 
      1   0.111645D+02  0.235144D+01  0.113590D+02 -0.364045D+01  0.386819D+02
      2  -0.926948D+01 -0.204327D+01 -0.116399D+02  0.330284D+01 -0.142246D+02
      3  -0.189499D+01 -0.308167D+00  0.280944D+00  0.337614D+00 -0.244573D+02
      4   0.264440D+01 -0.671415D-01  0.253766D+01  0.107779D+01 -0.301024D+02
      5  -0.240001D+01  0.172533D+01 -0.104028D+00 -0.276023D+00  0.553358D+01
      6   0.926075D+01  0.535022D+00  0.520898D+01 -0.332758D+01 -0.185513D+01
               236           237           238           239           240 
      1  -0.123685D+02  0.942225D+00 -0.129117D+02  0.445877D+01 -0.105730D+01
      2  -0.221437D+00  0.202512D+00 -0.472218D+01  0.146902D+02 -0.745072D+00
      3   0.125899D+02 -0.114474D+01  0.176339D+02 -0.191489D+02  0.180237D+01
      4   0.244694D+02 -0.369744D+01  0.366117D+02 -0.419639D+02  0.681380D+01
      5  -0.477550D+01  0.333817D+01 -0.895485D+01  0.872448D+01 -0.609092D+01
      6   0.236688D+01 -0.185141D+01  0.558377D+01 -0.645644D+01  0.524296D+01
               241           242           243           244           245 
      1   0.420679D+00 -0.720375D+00 -0.136852D+01  0.497568D+01  0.826951D+01
      2   0.293050D+01 -0.269332D+01  0.144864D+01  0.245781D+01  0.877369D+00
      3  -0.335118D+01  0.341370D+01 -0.801105D-01 -0.743349D+01 -0.914688D+01
      4  -0.733768D+01  0.807096D+01 -0.243052D+01  0.241570D+02  0.229778D+02
      5  -0.594741D+00 -0.214890D+01  0.167098D+01 -0.568919D+01 -0.492001D+01
      6   0.192124D+00  0.219936D+01 -0.169264D+01 -0.291898D+01 -0.276167D+01
               246           247           248           249           250 
      1  -0.196999D+01  0.614881D+01 -0.860815D+01  0.202604D+01 -0.168375D+01
      2   0.636585D+00  0.619213D+01  0.233723D+02 -0.305903D+01 -0.425171D+00
      3   0.133340D+01 -0.123409D+02 -0.147642D+02  0.103299D+01  0.210892D+01
      4  -0.595410D+01  0.302256D+02  0.496747D+02 -0.119040D+02 -0.806335D+01
      5   0.520598D+01 -0.663044D+01 -0.101259D+02  0.820931D+01  0.384896D+01
      6   0.267730D+01 -0.463352D+01 -0.879996D+01  0.741043D+01  0.336355D+01
               251           252           253           254           255 
      1   0.131988D+01 -0.111226D+01  0.402713D+01 -0.585472D+01 -0.108647D+02
      2  -0.433351D+01  0.223819D+01 -0.139545D+01  0.328964D+01  0.534356D+01
      3   0.301363D+01 -0.112593D+01 -0.263168D+01  0.256508D+01  0.552118D+01
      4  -0.128957D+02  0.421961D+01 -0.302769D+01 -0.404553D+00  0.182294D+01
      5   0.239966D+01 -0.259376D+01 -0.951900D+01  0.100325D+01 -0.309486D+01
      6   0.372409D+01 -0.331890D+01  0.262530D+01  0.919188D+00  0.198828D+01
               256           257           258           259           260 
      1  -0.193575D+02  0.172656D+01 -0.339370D+00 -0.288668D+02  0.185534D+01
      2   0.546493D+01  0.115389D+02  0.478454D+01  0.129120D+02  0.334601D+01
      3   0.138926D+02 -0.132655D+02 -0.444517D+01  0.159549D+02 -0.520135D+01
      4   0.324675D+02 -0.541191D+02 -0.289715D+02  0.204014D+02 -0.316915D+02
      5   0.147897D+02 -0.297996D+02 -0.318969D+02  0.233249D+02 -0.306021D+02
      6  -0.725428D+01  0.137678D+02  0.125873D+02 -0.858446D+01  0.133180D+02
               261           262           263           264           265 
      1   0.793227D-02  0.110152D+02 -0.159069D+01  0.122559D+02 -0.570816D+01
      2  -0.137093D+01 -0.700895D+01  0.998804D+00 -0.530357D+01  0.209754D+01
      3   0.136299D+01 -0.400628D+01  0.591884D+00 -0.695231D+01  0.361063D+01
      4  -0.284249D+02 -0.101536D+01 -0.383374D+00 -0.523296D+01  0.178122D+02
      5  -0.311151D+02  0.131913D+02 -0.450114D+01  0.353987D+01 -0.137348D+02
      6   0.119215D+02 -0.300602D+01  0.879797D+00  0.291030D+00  0.410775D+01
               266           267           268           269           270 
      1   0.281065D+01 -0.477995D+01  0.416520D+02 -0.832020D+01  0.908608D+01
      2   0.975206D+00  0.185226D+01 -0.259422D+02  0.451716D+01 -0.145221D+02
      3  -0.378585D+01  0.292770D+01 -0.157098D+02  0.380304D+01  0.543606D+01
      4  -0.201146D+02  0.149381D+02 -0.219756D+02  0.207237D+02 -0.258644D+02
      5   0.156567D+02 -0.267854D+02  0.428639D+02 -0.292584D+02  0.739652D+02
      6  -0.555242D+01  0.104217D+02 -0.991872D+01  0.110389D+02 -0.162559D+02
               271           272           273           274           275 
      1   0.194716D+03  0.183472D+02 -0.138196D+02  0.594972D+02  0.184004D+02
      2  -0.103325D+03 -0.107623D+02  0.787975D+01 -0.323055D+02 -0.923514D+01
      3  -0.913915D+02 -0.758485D+01  0.593982D+01 -0.271917D+02 -0.916523D+01
      4   0.151049D+02  0.156951D+02 -0.689869D+00  0.221584D+02  0.139314D+02
      5  -0.146090D+02 -0.851721D+00  0.185828D+02 -0.361274D+01 -0.432250D+01
      6   0.219097D+01  0.263865D-01 -0.117925D+01  0.210900D+00  0.524379D+00
               276           277           278           279 
      1  -0.419500D+01 -0.237621D+02 -0.231753D+01  0.166593D+02
      2   0.288329D+01  0.134043D+02  0.216470D+01 -0.100127D+02
      3   0.131172D+01  0.103578D+02  0.152828D+00 -0.664662D+01
      4  -0.428002D+01 -0.114758D+01 -0.533590D+01 -0.121788D+01
      5   0.501190D+01  0.240544D+02 -0.136042D+01 -0.373277D+01
      6   0.135961D+01 -0.102417D+01  0.240562D+01 -0.169929D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 01:07:35 2021, MaxMem=  5368709120 cpu:           76469.5 elap:            9582.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31569 -19.31436 -19.25623 -10.43032 -10.37455
 Alpha  occ. eigenvalues --  -10.36058 -10.33029 -10.32452 -10.32387 -10.32014
 Alpha  occ. eigenvalues --  -10.31907 -10.31667 -10.31665 -10.31661 -10.31437
 Alpha  occ. eigenvalues --  -10.30446 -10.29432  -1.20998  -1.18706  -1.12732
 Alpha  occ. eigenvalues --   -0.99893  -0.95415  -0.90871  -0.89190  -0.85215
 Alpha  occ. eigenvalues --   -0.84770  -0.80132  -0.76327  -0.74254  -0.71376
 Alpha  occ. eigenvalues --   -0.71189  -0.69382  -0.64017  -0.62813  -0.62279
 Alpha  occ. eigenvalues --   -0.59912  -0.57315  -0.57251  -0.55356  -0.55039
 Alpha  occ. eigenvalues --   -0.54710  -0.54080  -0.52016  -0.51476  -0.51225
 Alpha  occ. eigenvalues --   -0.50398  -0.50043  -0.48870  -0.47763  -0.46068
 Alpha  occ. eigenvalues --   -0.45003  -0.44749  -0.43902  -0.43257  -0.41904
 Alpha  occ. eigenvalues --   -0.40659  -0.40512  -0.37869  -0.35774  -0.32513
 Alpha  occ. eigenvalues --   -0.29019
 Alpha virt. eigenvalues --    0.00163   0.02882   0.03339   0.03701   0.03910
 Alpha virt. eigenvalues --    0.04669   0.04953   0.05341   0.05868   0.06281
 Alpha virt. eigenvalues --    0.06524   0.06654   0.07093   0.07872   0.08139
 Alpha virt. eigenvalues --    0.08656   0.09055   0.09727   0.10459   0.10488
 Alpha virt. eigenvalues --    0.11397   0.11673   0.12068   0.12514   0.12731
 Alpha virt. eigenvalues --    0.13098   0.13418   0.13464   0.13845   0.14203
 Alpha virt. eigenvalues --    0.14372   0.15034   0.15218   0.15325   0.15718
 Alpha virt. eigenvalues --    0.16247   0.16373   0.16477   0.16974   0.17142
 Alpha virt. eigenvalues --    0.17552   0.17834   0.18236   0.18635   0.19077
 Alpha virt. eigenvalues --    0.19375   0.19449   0.20040   0.20262   0.20652
 Alpha virt. eigenvalues --    0.21009   0.21291   0.21859   0.22263   0.22740
 Alpha virt. eigenvalues --    0.23432   0.23887   0.24202   0.24626   0.24947
 Alpha virt. eigenvalues --    0.25034   0.25631   0.25811   0.26492   0.26980
 Alpha virt. eigenvalues --    0.27084   0.27391   0.27857   0.28073   0.28455
 Alpha virt. eigenvalues --    0.28939   0.29373   0.29487   0.29895   0.30307
 Alpha virt. eigenvalues --    0.30702   0.31112   0.31391   0.31450   0.31845
 Alpha virt. eigenvalues --    0.32093   0.32536   0.32729   0.33125   0.33709
 Alpha virt. eigenvalues --    0.34046   0.34436   0.34491   0.35070   0.35300
 Alpha virt. eigenvalues --    0.35531   0.35797   0.36262   0.36560   0.36659
 Alpha virt. eigenvalues --    0.36943   0.37163   0.37929   0.38133   0.39129
 Alpha virt. eigenvalues --    0.39229   0.39485   0.39930   0.40105   0.40564
 Alpha virt. eigenvalues --    0.40953   0.41472   0.41596   0.42260   0.42493
 Alpha virt. eigenvalues --    0.42789   0.43403   0.44179   0.44511   0.44652
 Alpha virt. eigenvalues --    0.45098   0.45620   0.46229   0.47000   0.47289
 Alpha virt. eigenvalues --    0.47654   0.48145   0.49130   0.49261   0.49654
 Alpha virt. eigenvalues --    0.49967   0.50355   0.50892   0.51644   0.52072
 Alpha virt. eigenvalues --    0.53130   0.53552   0.53704   0.54148   0.54608
 Alpha virt. eigenvalues --    0.55338   0.56166   0.56399   0.56968   0.57631
 Alpha virt. eigenvalues --    0.57888   0.58423   0.58535   0.58798   0.59159
 Alpha virt. eigenvalues --    0.59453   0.59849   0.60186   0.60899   0.61286
 Alpha virt. eigenvalues --    0.61906   0.62487   0.62714   0.63206   0.64093
 Alpha virt. eigenvalues --    0.64286   0.64670   0.64875   0.65269   0.65713
 Alpha virt. eigenvalues --    0.66175   0.66344   0.66947   0.67771   0.68102
 Alpha virt. eigenvalues --    0.68575   0.68839   0.69117   0.69662   0.70027
 Alpha virt. eigenvalues --    0.70406   0.70861   0.71715   0.72056   0.72300
 Alpha virt. eigenvalues --    0.72914   0.73019   0.73574   0.73777   0.73938
 Alpha virt. eigenvalues --    0.74678   0.75197   0.75463   0.76072   0.76183
 Alpha virt. eigenvalues --    0.76806   0.77103   0.77603   0.78228   0.78576
 Alpha virt. eigenvalues --    0.79154   0.79689   0.81034   0.81401   0.81733
 Alpha virt. eigenvalues --    0.81971   0.82399   0.82554   0.82868   0.83277
 Alpha virt. eigenvalues --    0.83948   0.84163   0.84396   0.85332   0.85365
 Alpha virt. eigenvalues --    0.86275   0.86683   0.87565   0.88183   0.88492
 Alpha virt. eigenvalues --    0.88766   0.89434   0.89897   0.91391   0.91941
 Alpha virt. eigenvalues --    0.92531   0.92987   0.93322   0.93736   0.94752
 Alpha virt. eigenvalues --    0.95278   0.96009   0.96553   0.98269   0.98637
 Alpha virt. eigenvalues --    0.99606   1.00116   1.00798   1.01902   1.03241
 Alpha virt. eigenvalues --    1.03846   1.04613   1.06141   1.06853   1.07127
 Alpha virt. eigenvalues --    1.07664   1.09481   1.10085   1.11276   1.11746
 Alpha virt. eigenvalues --    1.12268   1.13700   1.14804   1.15980   1.16709
 Alpha virt. eigenvalues --    1.17176   1.18216   1.19099   1.20244   1.21218
 Alpha virt. eigenvalues --    1.21745   1.23146   1.24609   1.25677   1.26256
 Alpha virt. eigenvalues --    1.27134   1.27543   1.28164   1.29132   1.29682
 Alpha virt. eigenvalues --    1.31102   1.32693   1.33780   1.34407   1.35000
 Alpha virt. eigenvalues --    1.36264   1.37463   1.39390   1.39623   1.40249
 Alpha virt. eigenvalues --    1.40766   1.41024   1.42676   1.43271   1.44204
 Alpha virt. eigenvalues --    1.45280   1.46688   1.46920   1.47398   1.47806
 Alpha virt. eigenvalues --    1.49945   1.50056   1.51647   1.52265   1.52520
 Alpha virt. eigenvalues --    1.53741   1.54014   1.54870   1.56306   1.56484
 Alpha virt. eigenvalues --    1.57338   1.58226   1.58818   1.59404   1.59988
 Alpha virt. eigenvalues --    1.61462   1.62173   1.62470   1.63026   1.63531
 Alpha virt. eigenvalues --    1.64507   1.65184   1.66391   1.67079   1.67572
 Alpha virt. eigenvalues --    1.67925   1.68992   1.70372   1.70931   1.71555
 Alpha virt. eigenvalues --    1.72178   1.72538   1.73120   1.73650   1.74909
 Alpha virt. eigenvalues --    1.75347   1.76029   1.76226   1.76941   1.78503
 Alpha virt. eigenvalues --    1.79160   1.80720   1.80816   1.81951   1.82302
 Alpha virt. eigenvalues --    1.82978   1.84027   1.84959   1.86449   1.87188
 Alpha virt. eigenvalues --    1.88629   1.88951   1.90117   1.90844   1.92469
 Alpha virt. eigenvalues --    1.93961   1.94232   1.95757   1.95844   1.97590
 Alpha virt. eigenvalues --    1.97804   1.98738   1.99380   2.00303   2.00386
 Alpha virt. eigenvalues --    2.01454   2.02584   2.03296   2.04195   2.04812
 Alpha virt. eigenvalues --    2.05564   2.05929   2.07336   2.07731   2.08032
 Alpha virt. eigenvalues --    2.08996   2.09982   2.10692   2.12084   2.12685
 Alpha virt. eigenvalues --    2.13190   2.13524   2.14722   2.15224   2.16421
 Alpha virt. eigenvalues --    2.17849   2.18664   2.19365   2.20055   2.21043
 Alpha virt. eigenvalues --    2.21508   2.22247   2.23012   2.24553   2.26240
 Alpha virt. eigenvalues --    2.26451   2.27186   2.29213   2.30576   2.31620
 Alpha virt. eigenvalues --    2.33741   2.34366   2.35088   2.36915   2.37796
 Alpha virt. eigenvalues --    2.39378   2.39951   2.41426   2.41886   2.43709
 Alpha virt. eigenvalues --    2.45282   2.46892   2.47605   2.49100   2.49914
 Alpha virt. eigenvalues --    2.51978   2.52937   2.57809   2.58801   2.60057
 Alpha virt. eigenvalues --    2.61980   2.63660   2.64882   2.68033   2.69226
 Alpha virt. eigenvalues --    2.70164   2.72151   2.72540   2.73693   2.76321
 Alpha virt. eigenvalues --    2.76724   2.80361   2.82076   2.83732   2.85393
 Alpha virt. eigenvalues --    2.88144   2.90796   2.93556   2.94275   2.97846
 Alpha virt. eigenvalues --    2.98426   3.01695   3.03689   3.06976   3.12342
 Alpha virt. eigenvalues --    3.17864   3.26349   3.29287   3.30778   3.44446
 Alpha virt. eigenvalues --    3.44810   3.45762   3.48916   3.49296   3.50230
 Alpha virt. eigenvalues --    3.50899   3.52829   3.55108   3.56728   3.59394
 Alpha virt. eigenvalues --    3.59594   3.61645   3.63784   3.68255   3.77428
 Alpha virt. eigenvalues --    3.82163   3.84212   3.88845   3.91821   3.99878
 Alpha virt. eigenvalues --    4.10745   4.51490   4.74479
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   38.360551  -9.357020  -5.837109   0.615243  -1.623967   2.030928
     2  C   -9.357020  40.113460   0.072100   0.925908   3.080360  -8.235403
     3  C   -5.837109   0.072100  30.711628 -10.017665  -0.836732  -2.173153
     4  C    0.615243   0.925908 -10.017665  22.275136  -6.101282   2.301518
     5  C   -1.623967   3.080360  -0.836732  -6.101282  30.925815 -16.146520
     6  C    2.030928  -8.235403  -2.173153   2.301518 -16.146520  33.370167
     7  C   -8.132511  -5.719180  -1.558712  -3.106018  -0.185544  -0.348341
     8  H    0.922707  -0.783959  -3.740053   1.033589   0.305880  -0.054213
     9  H    0.036543  -0.615595   0.173049   0.443896  -3.667614   2.191972
    10  H   -0.756639   0.661063  -0.041388  -0.352824   2.249870  -3.728111
    11  C    0.656170  -0.728892  -0.923871  -2.278356  -2.505809   1.167455
    12  C   -0.020418   0.038658  -0.244991  -0.335152  -0.176212  -0.016606
    13  C   -0.092271   0.022016  -0.275139   0.376319  -0.313173  -0.046238
    14  H   -0.106547  -0.043250   0.152906  -0.074554   0.054976   0.083140
    15  H    0.059560  -0.028443  -0.082978  -0.238749  -0.007835   0.041280
    16  H   -0.044033   0.018931  -0.012871   0.669218  -0.084925  -0.012471
    17  H   -0.015254   0.000136   0.200985  -0.575682   0.083090  -0.004719
    18  O   -0.021588   0.015090   0.087093  -0.025342   0.010779  -0.012733
    19  O   -0.014459  -0.033193   0.093617  -0.186150  -0.017720   0.041634
    20  H   -0.002896  -0.033115  -0.026150   0.091443  -0.011830   0.002612
    21  C    0.794499  -9.867429  -0.565184   0.126065   0.148839  -0.262810
    22  C   -8.435410   0.444634  -0.500175   0.271005   0.236537  -0.609760
    23  C   -5.324977  -6.573107  -0.394566  -0.227995   0.310849  -5.268239
    24  O    0.242319  -0.305420   0.009121   0.014366  -0.042580  -0.055278
    25  C   -0.057761   0.074764  -0.019450   0.019796  -0.013186   0.014852
    26  H    1.747634  -0.469301   0.232560   0.114434   0.003384  -0.069564
    27  H   -0.370446   0.120985  -0.184568   0.018301   0.010615   0.046871
    28  H   -0.409406   1.769539  -0.066850   0.078027   0.105830   0.460625
    29  H   -0.009211  -0.082001  -0.000143  -0.001223   0.001119   0.005631
    30  H   -0.010438  -0.086968   0.000701  -0.002751   0.001921   0.005994
    31  H    0.006243   0.155270  -0.001515   0.003976  -0.004719  -0.009128
               7          8          9         10         11         12
     1  C   -8.132511   0.922707   0.036543  -0.756639   0.656170  -0.020418
     2  C   -5.719180  -0.783959  -0.615595   0.661063  -0.728892   0.038658
     3  C   -1.558712  -3.740053   0.173049  -0.041388  -0.923871  -0.244991
     4  C   -3.106018   1.033589   0.443896  -0.352824  -2.278356  -0.335152
     5  C   -0.185544   0.305880  -3.667614   2.249870  -2.505809  -0.176212
     6  C   -0.348341  -0.054213   2.191972  -3.728111   1.167455  -0.016606
     7  C   42.931901   0.497801   0.122296  -0.286745   0.191344  -0.079149
     8  H    0.497801   3.989549  -0.045145   0.005165   0.021061   0.022502
     9  H    0.122296  -0.045145   3.370243  -0.264846   0.520697   0.030709
    10  H   -0.286745   0.005165  -0.264846   3.114072  -0.017974   0.006281
    11  C    0.191344   0.021061   0.520697  -0.017974  12.479156   0.389194
    12  C   -0.079149   0.022502   0.030709   0.006281   0.389194   4.780316
    13  C   -0.018288   0.060859   0.019509  -0.000006  -1.473151  -0.038532
    14  H    0.029092   0.002872  -0.131033   0.003332  -1.057261   0.164762
    15  H   -0.015887  -0.092347   0.005242  -0.000389  -0.137376   0.528585
    16  H    0.001467   0.020831   0.003145   0.000393  -0.283151  -0.050097
    17  H   -0.011546   0.010006  -0.004257   0.002100   0.427332   0.127315
    18  O   -0.003882  -0.016053   0.000326  -0.000068  -0.195588   0.047086
    19  O    0.007134   0.012961  -0.002662   0.001579   0.339777  -0.019293
    20  H    0.016813  -0.007425  -0.009659  -0.000217  -0.148981   0.012906
    21  C   -6.989963   0.239830  -0.014606   0.109479   0.013845  -0.012780
    22  C    1.322327   0.004820  -0.002494   0.206437   0.099635   0.010343
    23  C   -9.948293  -0.075133  -0.207737   1.159554  -0.503853  -0.019798
    24  O   -0.069840   0.000319   0.000251  -0.007518  -0.000394  -0.000040
    25  C   -0.030160  -0.001181  -0.000266  -0.000749   0.002041   0.000096
    26  H   -3.628999  -0.305501   0.004494   0.000479   0.019516   0.007239
    27  H    0.636563   0.020623  -0.001890   0.002274  -0.004678  -0.000933
    28  H    0.229844   0.000931  -0.004253  -0.171264   0.003971  -0.000462
    29  H    0.090725  -0.000709   0.000083  -0.000744   0.000176   0.000037
    30  H    0.098415  -0.000605   0.000101  -0.000787   0.000129   0.000029
    31  H   -0.075199  -0.000079  -0.000142   0.001602   0.000173   0.000008
              13         14         15         16         17         18
     1  C   -0.092271  -0.106547   0.059560  -0.044033  -0.015254  -0.021588
     2  C    0.022016  -0.043250  -0.028443   0.018931   0.000136   0.015090
     3  C   -0.275139   0.152906  -0.082978  -0.012871   0.200985   0.087093
     4  C    0.376319  -0.074554  -0.238749   0.669218  -0.575682  -0.025342
     5  C   -0.313173   0.054976  -0.007835  -0.084925   0.083090   0.010779
     6  C   -0.046238   0.083140   0.041280  -0.012471  -0.004719  -0.012733
     7  C   -0.018288   0.029092  -0.015887   0.001467  -0.011546  -0.003882
     8  H    0.060859   0.002872  -0.092347   0.020831   0.010006  -0.016053
     9  H    0.019509  -0.131033   0.005242   0.003145  -0.004257   0.000326
    10  H   -0.000006   0.003332  -0.000389   0.000393   0.002100  -0.000068
    11  C   -1.473151  -1.057261  -0.137376  -0.283151   0.427332  -0.195588
    12  C   -0.038532   0.164762   0.528585  -0.050097   0.127315   0.047086
    13  C    6.874222   0.089998  -0.035120   0.034974  -0.077901   0.325006
    14  H    0.089998   2.248956   0.095667  -0.017701  -0.050363   0.041152
    15  H   -0.035120   0.095667   1.615527  -0.346776  -0.271792   0.037564
    16  H    0.034974  -0.017701  -0.346776   1.715006  -0.364923  -0.010573
    17  H   -0.077901  -0.050363  -0.271792  -0.364923   1.707013   0.014032
    18  O    0.325006   0.041152   0.037564  -0.010573   0.014032   8.354994
    19  O   -0.297607   0.003403   0.006667  -0.002955   0.004704  -0.108948
    20  H    0.024344   0.028130   0.003386   0.001046  -0.002169   0.015945
    21  C    0.001692   0.005455   0.000649  -0.001361  -0.000613  -0.001092
    22  C    0.003842   0.000245  -0.000176   0.000694   0.001721  -0.000173
    23  C   -0.011696  -0.017636  -0.003031   0.000841  -0.005236   0.001742
    24  O   -0.000060  -0.000098   0.000058  -0.000010  -0.000018   0.000000
    25  C    0.000030   0.000095   0.000013   0.000003   0.000038  -0.000001
    26  H    0.001986  -0.001872   0.009191  -0.000983  -0.000093   0.000332
    27  H   -0.000658  -0.000155  -0.000831   0.000010   0.000102  -0.000001
    28  H   -0.000102   0.000646  -0.000146   0.000061  -0.000165   0.000006
    29  H    0.000021   0.000007   0.000024   0.000001   0.000001   0.000000
    30  H    0.000007   0.000006   0.000014   0.000003   0.000002  -0.000000
    31  H    0.000003   0.000009  -0.000002   0.000000   0.000003  -0.000000
              19         20         21         22         23         24
     1  C   -0.014459  -0.002896   0.794499  -8.435410  -5.324977   0.242319
     2  C   -0.033193  -0.033115  -9.867429   0.444634  -6.573107  -0.305420
     3  C    0.093617  -0.026150  -0.565184  -0.500175  -0.394566   0.009121
     4  C   -0.186150   0.091443   0.126065   0.271005  -0.227995   0.014366
     5  C   -0.017720  -0.011830   0.148839   0.236537   0.310849  -0.042580
     6  C    0.041634   0.002612  -0.262810  -0.609760  -5.268239  -0.055278
     7  C    0.007134   0.016813  -6.989963   1.322327  -9.948293  -0.069840
     8  H    0.012961  -0.007425   0.239830   0.004820  -0.075133   0.000319
     9  H   -0.002662  -0.009659  -0.014606  -0.002494  -0.207737   0.000251
    10  H    0.001579  -0.000217   0.109479   0.206437   1.159554  -0.007518
    11  C    0.339777  -0.148981   0.013845   0.099635  -0.503853  -0.000394
    12  C   -0.019293   0.012906  -0.012780   0.010343  -0.019798  -0.000040
    13  C   -0.297607   0.024344   0.001692   0.003842  -0.011696  -0.000060
    14  H    0.003403   0.028130   0.005455   0.000245  -0.017636  -0.000098
    15  H    0.006667   0.003386   0.000649  -0.000176  -0.003031   0.000058
    16  H   -0.002955   0.001046  -0.001361   0.000694   0.000841  -0.000010
    17  H    0.004704  -0.002169  -0.000613   0.001721  -0.005236  -0.000018
    18  O   -0.108948   0.015945  -0.001092  -0.000173   0.001742   0.000000
    19  O    8.427130   0.236788   0.002086  -0.001107  -0.004396   0.000003
    20  H    0.236788   0.630537   0.001133   0.000660  -0.010154  -0.000021
    21  C    0.002086   0.001133  24.638551  -4.220078   1.799901   1.014888
    22  C   -0.001107   0.000660  -4.220078  21.300392  -4.438135  -1.307551
    23  C   -0.004396  -0.010154   1.799901  -4.438135  38.999750   0.149632
    24  O    0.000003  -0.000021   1.014888  -1.307551   0.149632   9.410681
    25  C    0.000014  -0.000025   0.000066   0.092712  -0.216545   0.131947
    26  H   -0.002445  -0.000201   1.637576  -0.395961   0.099369   0.002490
    27  H    0.000128   0.000053  -2.684143   1.126914   0.123324  -0.168430
    28  H   -0.000140   0.000420  -0.303892   0.789917  -3.456809  -0.115659
    29  H   -0.000002   0.000007   0.143440  -0.373063   0.127952   0.158581
    30  H   -0.000002   0.000009   0.157556  -0.392894   0.127812   0.160896
    31  H    0.000002  -0.000005  -0.312688   0.822768  -0.310781  -0.508947
              25         26         27         28         29         30
     1  C   -0.057761   1.747634  -0.370446  -0.409406  -0.009211  -0.010438
     2  C    0.074764  -0.469301   0.120985   1.769539  -0.082001  -0.086968
     3  C   -0.019450   0.232560  -0.184568  -0.066850  -0.000143   0.000701
     4  C    0.019796   0.114434   0.018301   0.078027  -0.001223  -0.002751
     5  C   -0.013186   0.003384   0.010615   0.105830   0.001119   0.001921
     6  C    0.014852  -0.069564   0.046871   0.460625   0.005631   0.005994
     7  C   -0.030160  -3.628999   0.636563   0.229844   0.090725   0.098415
     8  H   -0.001181  -0.305501   0.020623   0.000931  -0.000709  -0.000605
     9  H   -0.000266   0.004494  -0.001890  -0.004253   0.000083   0.000101
    10  H   -0.000749   0.000479   0.002274  -0.171264  -0.000744  -0.000787
    11  C    0.002041   0.019516  -0.004678   0.003971   0.000176   0.000129
    12  C    0.000096   0.007239  -0.000933  -0.000462   0.000037   0.000029
    13  C    0.000030   0.001986  -0.000658  -0.000102   0.000021   0.000007
    14  H    0.000095  -0.001872  -0.000155   0.000646   0.000007   0.000006
    15  H    0.000013   0.009191  -0.000831  -0.000146   0.000024   0.000014
    16  H    0.000003  -0.000983   0.000010   0.000061   0.000001   0.000003
    17  H    0.000038  -0.000093   0.000102  -0.000165   0.000001   0.000002
    18  O   -0.000001   0.000332  -0.000001   0.000006   0.000000  -0.000000
    19  O    0.000014  -0.002445   0.000128  -0.000140  -0.000002  -0.000002
    20  H   -0.000025  -0.000201   0.000053   0.000420   0.000007   0.000009
    21  C    0.000066   1.637576  -2.684143  -0.303892   0.143440   0.157556
    22  C    0.092712  -0.395961   1.126914   0.789917  -0.373063  -0.392894
    23  C   -0.216545   0.099369   0.123324  -3.456809   0.127952   0.127812
    24  O    0.131947   0.002490  -0.168430  -0.115659   0.158581   0.160896
    25  C    4.144595   0.018860  -0.073435   0.042636   0.357086   0.358907
    26  H    0.018860   3.182312  -0.312258   0.011079   0.005078   0.004850
    27  H   -0.073435  -0.312258   3.928032  -0.038675  -0.071917  -0.072163
    28  H    0.042636   0.011079  -0.038675   2.972548   0.010853   0.011026
    29  H    0.357086   0.005078  -0.071917   0.010853   1.311549  -0.090463
    30  H    0.358907   0.004850  -0.072163   0.011026  -0.090463   1.313438
    31  H    0.183578  -0.001288   0.037593  -0.016058  -0.473570  -0.474958
              31
     1  C    0.006243
     2  C    0.155270
     3  C   -0.001515
     4  C    0.003976
     5  C   -0.004719
     6  C   -0.009128
     7  C   -0.075199
     8  H   -0.000079
     9  H   -0.000142
    10  H    0.001602
    11  C    0.000173
    12  C    0.000008
    13  C    0.000003
    14  H    0.000009
    15  H   -0.000002
    16  H    0.000000
    17  H    0.000003
    18  O   -0.000000
    19  O    0.000002
    20  H   -0.000005
    21  C   -0.312688
    22  C    0.822768
    23  C   -0.310781
    24  O   -0.508947
    25  C    0.183578
    26  H   -0.001288
    27  H    0.037593
    28  H   -0.016058
    29  H   -0.473570
    30  H   -0.474958
    31  H    2.434010
 Mulliken charges:
               1
     1  C    1.169965
     2  C    1.449362
     3  C    1.769504
     4  C    0.145502
     5  C    0.209785
     6  C    1.288607
     7  C    0.032538
     8  H   -1.049902
     9  H   -0.950358
    10  H   -0.893407
    11  C   -0.072338
    12  C    0.848395
    13  C    0.845114
    14  H   -0.504375
    15  H   -0.141549
    16  H   -0.233793
    17  H   -0.193852
    18  O   -0.555104
    19  O   -0.486546
    20  H    0.186616
    21  C    0.401089
    22  C   -0.058626
    23  C    0.117389
    24  O   -0.713690
    25  C    0.970631
    26  H   -0.914399
    27  H   -1.087207
    28  H   -0.904080
    29  H   -0.109324
    30  H   -0.109789
    31  H   -0.456158
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.169965
     2  C    1.449362
     3  C    0.719601
     4  C    0.145502
     5  C   -0.740574
     6  C    0.395200
     7  C   -0.881861
    11  C   -0.576713
    12  C    0.279201
    13  C    0.845114
    18  O   -0.555104
    19  O   -0.299930
    21  C   -0.686118
    22  C   -0.058626
    23  C   -0.786691
    24  O   -0.713690
    25  C    0.295361
 Electronic spatial extent (au):  <R**2>=           5465.6547
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.0208    Y=              1.4677    Z=              0.9451  Tot=              5.3156
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -107.1230   YY=            -95.1257   ZZ=           -103.0704
   XY=            -20.8245   XZ=             -3.6504   YZ=             -4.8089
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.3500   YY=              6.6474   ZZ=             -1.2974
   XY=            -20.8245   XZ=             -3.6504   YZ=             -4.8089
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            206.9594  YYY=              3.7201  ZZZ=             -5.1878  XYY=             21.2276
  XXY=             25.2168  XXZ=             22.9331  XZZ=             -1.9220  YZZ=             -1.0117
  YYZ=             -0.4187  XYZ=              6.4060
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5887.8714 YYYY=           -786.0602 ZZZZ=           -445.4211 XXXY=           -475.4909
 XXXZ=            -45.7923 YYYX=             -8.3749 YYYZ=            -21.7875 ZZZX=              0.9795
 ZZZY=              2.7146 XXYY=          -1152.0696 XXZZ=          -1086.1464 YYZZ=           -222.6582
 XXYZ=            -37.9161 YYXZ=             -7.1230 ZZXY=             -6.0103
 N-N= 1.134443911049D+03 E-N=-4.056531598768D+03  KE= 7.630482210516D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 01:07:35 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.99435487D+00 5.71604927D-01 3.45983293D-01
 Polarizability= 2.74145954D+02-1.38066658D+01 1.62745326D+02
                -8.23186857D+00-1.03438991D+01 1.13471925D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.9610    3.9602       -8.7923   -8.7925
 2     -3.9610   -3.9602        5.6254    5.6242      -60.7886  -60.7884
 3      8.7923    8.7925       87.9185   87.9177       -5.6268   -5.6242
 4     -5.6254   -5.6242        0.0000    0.0000        8.7923    8.7925
 5    -27.1298  -27.1293       -8.7923   -8.7925        3.9615    3.9602
 6      5.6268    5.6242       -3.9615   -3.9602        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -11.8807  -11.8807      -26.3775  -26.3775
 2    -16.8725  -16.8725       -0.0000    0.0000      -26.3775  -26.3775
 3    -16.8725  -16.8725      -11.8807  -11.8807        0.0000    0.0000
 4    -11.8807  -11.8807       16.8725   16.8725     -182.3651 -182.3651
 5     26.3775   26.3775      263.7531  263.7531      -16.8725  -16.8725
 6    -81.3879  -81.3879      -26.3775  -26.3775       11.8807   11.8807
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2543    0.0000      -15.8359  -15.8409       35.4223   35.1700
 2     16.4725   15.8409      -23.0908  -22.4967      243.5687  243.1535
 3    -35.4888  -35.1700     -352.0002 -351.6708       22.8271   22.4967
 4     22.9168   22.4967       -0.2640    0.0000      -35.5269  -35.1700
 5    108.3735  108.5172       35.2159   35.1700      -15.7846  -15.8409
 6    -22.6898  -22.4967       15.8623   15.8409       -0.0036    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1251    0.0000      129.4723  129.2085      -19.5674  -19.5866
 2   -128.8348 -129.2085      -83.2998  -83.1871       19.6582   20.0305
 3     19.2244   19.5866       51.6459   51.8663       80.8398   83.1871
 4     83.0767   83.1871       -0.0549    0.0000       19.4865   19.5866
 5    -72.5791  -71.8968      -19.6858  -19.5866      129.4741  129.2085
 6    -83.1630  -83.1871     -129.2846 -129.2085        0.0488    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.8042    3.9158      109.7998  109.3767       64.7839   64.6469
 2    154.6540  155.1711      229.2788  229.0227       64.4848   64.6469
 3    154.8247  155.1711      109.8564  109.3767       68.4625   68.7450
 4   -119.7631 -119.6460     -152.3989 -151.2553       33.3753   33.4341
 5      3.9906    4.0981       91.3304   90.7612      149.9740  151.2553
 6   -125.9933 -124.1953       -3.7608   -4.0981      119.3996  119.6460
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6085   -3.1447   -0.5678   -0.0009   -0.0004    0.0006
 Low frequencies ---   21.7276   33.7590   43.3801
 Diagonal vibrational polarizability:
      172.2891253      88.3924707     197.8956684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     21.7222                33.7555                43.3794
 Red. masses --      4.8062                 6.9125                 4.4643
 Frc consts  --      0.0013                 0.0046                 0.0049
 IR Inten    --      4.9040                 4.2923                 0.6151
 RamAct Fr= 1--      4.5157                 3.6347                 1.5028
  Dep-P Fr= 1--      0.7431                 0.7446                 0.7415
  Dep-U Fr= 1--      0.8526                 0.8536                 0.8516
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0002
 Beta2  Fr= 1--      0.6417                 0.5171                 0.2133
 AlphaG Fr= 1--     -0.0001                 0.0075                -0.0012
 Gamma2 Fr= 1--      1.3184                -0.5464                 1.3172
 Delta2 Fr= 1--      1.3488                -0.7474                 0.2347
 Raman1 Fr= 1--      18.063                 14.539                  6.011
 ROA1   Fr= 1--     169.732                -76.370                133.967
 CID1   Fr= 1--       9.397                 -5.253                 22.286
 Raman2 Fr= 1--       7.700                  6.205                  2.560
 ROA2   Fr= 1--      20.852                 -7.134                 29.736
 CID2   Fr= 1--       2.708                 -1.150                 11.618
 Raman3 Fr= 1--      15.401                 12.410                  5.119
 ROA3   Fr= 1--     169.732                -76.370                133.967
 CID3   Fr= 1--      11.021                 -6.154                 26.170
 RC180  Fr= 1--       0.705                  0.707                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.09    -0.02   0.01   0.06     0.01  -0.04  -0.13
     2   6     0.01   0.03   0.05    -0.01  -0.01  -0.03     0.01  -0.03  -0.10
     3   6    -0.02   0.00  -0.14    -0.01   0.03   0.08     0.01  -0.05  -0.11
     4   6    -0.00   0.03  -0.07    -0.01   0.02   0.03     0.01  -0.04  -0.05
     5   6     0.02   0.06   0.07    -0.01  -0.00  -0.06     0.01  -0.03  -0.06
     6   6     0.02   0.05   0.12    -0.01  -0.02  -0.09     0.00  -0.03  -0.08
     7   6    -0.03  -0.03  -0.17    -0.02   0.02   0.12     0.02  -0.04  -0.12
     8   1    -0.04  -0.02  -0.24    -0.02   0.05   0.14     0.02  -0.05  -0.11
     9   1     0.03   0.08   0.13    -0.01  -0.01  -0.10     0.00  -0.03  -0.03
    10   1     0.04   0.08   0.23    -0.01  -0.04  -0.16    -0.00  -0.03  -0.08
    11   6    -0.01   0.04  -0.09    -0.01   0.01   0.03     0.02  -0.02   0.05
    12   6    -0.03   0.23  -0.07    -0.02  -0.04   0.02     0.14  -0.08   0.08
    13   6     0.03  -0.08   0.05     0.06   0.01  -0.01    -0.08   0.04   0.05
    14   1    -0.00  -0.01  -0.21    -0.02   0.01   0.04     0.01   0.02   0.14
    15   1    -0.03   0.28   0.04    -0.03  -0.06  -0.01     0.15  -0.12  -0.00
    16   1    -0.03   0.25  -0.07    -0.02  -0.05   0.01     0.15  -0.05   0.17
    17   1    -0.03   0.30  -0.18    -0.03  -0.06   0.05     0.22  -0.12   0.10
    18   8     0.14  -0.17   0.18     0.30  -0.28   0.07    -0.07   0.06   0.09
    19   8    -0.07  -0.08   0.00    -0.13   0.35  -0.16    -0.18   0.09  -0.01
    20   1    -0.13  -0.00  -0.11    -0.25   0.53  -0.23    -0.17   0.07  -0.05
    21   6    -0.03  -0.03  -0.12    -0.02   0.01   0.09     0.02  -0.01  -0.06
    22   6    -0.01  -0.01   0.03    -0.02  -0.02  -0.01     0.02   0.00  -0.01
    23   6     0.01   0.02   0.10    -0.01  -0.03  -0.07     0.01  -0.01  -0.04
    24   8     0.00  -0.00   0.09    -0.02  -0.04  -0.05     0.02   0.04   0.09
    25   6    -0.02  -0.03   0.02    -0.03  -0.04   0.01     0.04   0.09   0.28
    26   1    -0.05  -0.05  -0.28    -0.02   0.04   0.20     0.03  -0.05  -0.16
    27   1    -0.04  -0.06  -0.18    -0.03   0.01   0.14     0.03  -0.00  -0.05
    28   1     0.03   0.04   0.21    -0.01  -0.05  -0.14     0.01   0.00  -0.01
    29   1     0.00   0.04  -0.07    -0.05  -0.09   0.08     0.19   0.04   0.31
    30   1    -0.05  -0.13  -0.02    -0.01   0.04   0.04    -0.09   0.15   0.30
    31   1    -0.01  -0.03   0.09    -0.03  -0.06  -0.04     0.05   0.13   0.41
                      4                      5                      6
                      A                      A                      A
 Frequencies --     76.2641               113.4371               138.8649
 Red. masses --      3.9031                 4.6318                 4.1208
 Frc consts  --      0.0134                 0.0351                 0.0468
 IR Inten    --      3.9924                 0.1951                 0.1777
 RamAct Fr= 1--      1.2341                 1.0041                 1.5174
  Dep-P Fr= 1--      0.7292                 0.4820                 0.7174
  Dep-U Fr= 1--      0.8434                 0.6504                 0.8355
 Alpha2 Fr= 1--      0.0004                 0.0054                 0.0009
 Beta2  Fr= 1--      0.1735                 0.1089                 0.2113
 AlphaG Fr= 1--      0.0083                -0.0156                 0.0038
 Gamma2 Fr= 1--     -0.1267                -0.6597                 2.4717
 Delta2 Fr= 1--      0.2474                -0.5256                 1.4738
 Raman1 Fr= 1--       4.936                  4.016                  6.070
 ROA1   Fr= 1--      -4.242                -80.152                284.445
 CID1   Fr= 1--      -0.859                -19.956                 46.863
 Raman2 Fr= 1--       2.082                  1.306                  2.536
 ROA2   Fr= 1--      -5.019                -11.629                 47.530
 CID2   Fr= 1--      -2.411                 -8.903                 18.746
 Raman3 Fr= 1--       4.163                  2.612                  5.071
 ROA3   Fr= 1--      -4.242                -80.152                284.445
 CID3   Fr= 1--      -1.019                -30.680                 56.091
 RC180  Fr= 1--       0.687                  0.301                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.04   0.07  -0.08    -0.00  -0.08  -0.02
     2   6    -0.01   0.01  -0.02    -0.02   0.06  -0.09    -0.02  -0.09  -0.09
     3   6    -0.01   0.03   0.05    -0.03   0.10  -0.03    -0.00  -0.05   0.10
     4   6    -0.01   0.04   0.08    -0.02   0.10  -0.00     0.00  -0.04   0.12
     5   6    -0.00   0.04   0.10    -0.02   0.08  -0.08    -0.01  -0.07  -0.01
     6   6    -0.01   0.03   0.05    -0.02   0.06  -0.12    -0.02  -0.10  -0.11
     7   6    -0.03  -0.01  -0.06    -0.09   0.03  -0.09     0.02  -0.08  -0.09
     8   1    -0.02   0.03   0.04    -0.03   0.11  -0.00    -0.01  -0.04   0.15
     9   1     0.00   0.05   0.14    -0.02   0.09  -0.09    -0.01  -0.08  -0.03
    10   1    -0.00   0.03   0.06    -0.02   0.05  -0.16    -0.02  -0.12  -0.19
    11   6    -0.01   0.02   0.03     0.00   0.01   0.07    -0.01   0.03   0.06
    12   6    -0.09   0.02   0.01     0.12  -0.16   0.09    -0.18   0.13   0.02
    13   6     0.07  -0.01   0.00     0.09  -0.02   0.04     0.03   0.04   0.03
    14   1    -0.02   0.00  -0.00    -0.11  -0.01   0.16     0.07   0.03  -0.02
    15   1    -0.08   0.04   0.04     0.26  -0.14  -0.02    -0.27   0.15   0.14
    16   1    -0.09  -0.02  -0.05     0.13  -0.31   0.15    -0.20   0.18  -0.11
    17   1    -0.15   0.04   0.02     0.05  -0.17   0.14    -0.23   0.16   0.01
    18   8     0.06  -0.03  -0.05     0.09  -0.04  -0.01     0.03   0.02  -0.04
    19   8     0.16  -0.02   0.05     0.18  -0.04   0.09     0.09   0.09   0.05
    20   1     0.15  -0.00   0.09     0.17  -0.01   0.13     0.09   0.10   0.10
    21   6    -0.03  -0.03  -0.12    -0.09   0.00  -0.04     0.02  -0.05  -0.09
    22   6    -0.03  -0.04  -0.13    -0.05   0.00   0.03     0.00  -0.01  -0.01
    23   6    -0.02  -0.02  -0.09    -0.01   0.02  -0.03    -0.03  -0.06  -0.07
    24   8    -0.03  -0.06  -0.19    -0.03  -0.03   0.19     0.01   0.10   0.19
    25   6    -0.01   0.04   0.26    -0.11  -0.14  -0.00     0.06   0.10  -0.05
    26   1    -0.04  -0.00  -0.05    -0.13   0.04  -0.12     0.05  -0.10  -0.12
    27   1    -0.04  -0.05  -0.16    -0.11  -0.01  -0.02     0.04  -0.04  -0.12
    28   1    -0.01  -0.03  -0.09     0.03   0.01  -0.01    -0.05  -0.04  -0.06
    29   1     0.18  -0.16   0.43    -0.17   0.01  -0.16     0.14   0.28  -0.28
    30   1    -0.20   0.30   0.35    -0.15  -0.33  -0.08     0.03  -0.18  -0.16
    31   1    -0.00   0.05   0.34    -0.08  -0.19   0.08     0.04   0.21   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    184.4744               202.9675               219.6740
 Red. masses --      3.3745                 3.9677                 1.0781
 Frc consts  --      0.0677                 0.0963                 0.0307
 IR Inten    --      0.9195                 1.8739                 0.3439
 RamAct Fr= 1--      0.0440                 1.5216                 0.2636
  Dep-P Fr= 1--      0.3139                 0.5584                 0.2718
  Dep-U Fr= 1--      0.4779                 0.7167                 0.4274
 Alpha2 Fr= 1--      0.0004                 0.0055                 0.0029
 Beta2  Fr= 1--      0.0035                 0.1817                 0.0188
 AlphaG Fr= 1--      0.0022                 0.0061                 0.0012
 Gamma2 Fr= 1--     -0.2169                -2.3238                 0.0593
 Delta2 Fr= 1--      0.0543                -1.2857                -0.0108
 Raman1 Fr= 1--       0.176                  6.086                  1.054
 ROA1   Fr= 1--     -19.081               -264.226                  5.346
 CID1   Fr= 1--    -108.385                -43.413                  5.070
 Raman2 Fr= 1--       0.042                  2.181                  0.225
 ROA2   Fr= 1--      -5.639                -45.485                  1.509
 CID2   Fr= 1--    -134.065                -20.856                  6.696
 Raman3 Fr= 1--       0.084                  4.362                  0.451
 ROA3   Fr= 1--     -19.081               -264.226                  5.346
 CID3   Fr= 1--    -226.812                -60.577                 11.862
 RC180  Fr= 1--      -0.044                  0.433                 -0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.14    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     2   6    -0.02  -0.05  -0.14    -0.06  -0.08   0.07    -0.01  -0.00   0.00
     3   6    -0.02  -0.05  -0.18    -0.07  -0.03  -0.06    -0.01   0.00  -0.00
     4   6    -0.00  -0.00   0.01    -0.01   0.02  -0.08     0.00   0.01  -0.00
     5   6     0.01   0.05   0.20     0.00   0.00  -0.09     0.00   0.01  -0.00
     6   6     0.00   0.01   0.06     0.01  -0.05  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.05    -0.07  -0.09   0.01    -0.01  -0.00   0.00
     8   1    -0.03  -0.07  -0.28    -0.14  -0.01  -0.07    -0.01   0.00  -0.01
     9   1     0.03   0.10   0.42     0.02   0.00  -0.14     0.00   0.01  -0.00
    10   1     0.01   0.03   0.16     0.07  -0.07   0.01     0.01  -0.00  -0.00
    11   6    -0.00   0.01   0.01     0.02   0.06  -0.01     0.00   0.02  -0.01
    12   6    -0.01   0.02   0.01     0.19   0.06   0.04    -0.01  -0.03  -0.02
    13   6     0.02   0.01   0.01     0.06   0.04   0.00     0.01   0.02  -0.00
    14   1     0.00   0.01   0.00    -0.02   0.05   0.02     0.02   0.03   0.01
    15   1    -0.00   0.03   0.02     0.35   0.13   0.02    -0.47  -0.34  -0.21
    16   1    -0.01   0.01  -0.00     0.21  -0.06   0.17    -0.04   0.52   0.03
    17   1    -0.03   0.03   0.00     0.17   0.12  -0.04     0.47  -0.31   0.12
    18   8     0.01   0.00  -0.01     0.07   0.02  -0.02     0.03   0.01   0.03
    19   8     0.04   0.01   0.01     0.12   0.04   0.03     0.02  -0.02   0.01
    20   1     0.04   0.01   0.03     0.11   0.05   0.06     0.01  -0.01  -0.01
    21   6     0.01   0.04   0.20    -0.05  -0.08   0.04    -0.01  -0.01   0.00
    22   6    -0.01  -0.01   0.01    -0.08  -0.07   0.06    -0.01  -0.01   0.00
    23   6    -0.02  -0.05  -0.18    -0.08  -0.07   0.14    -0.01  -0.01   0.00
    24   8    -0.01   0.02   0.04    -0.11   0.04  -0.07    -0.01   0.00   0.00
    25   6     0.00   0.02  -0.02     0.05   0.19  -0.05     0.00   0.02  -0.00
    26   1     0.01   0.02   0.14    -0.07  -0.10  -0.01    -0.01  -0.00   0.00
    27   1     0.03   0.10   0.44    -0.04  -0.08   0.02    -0.01  -0.01   0.00
    28   1    -0.03  -0.07  -0.26    -0.08  -0.06   0.17    -0.01  -0.01  -0.00
    29   1    -0.17  -0.06   0.11     0.06   0.06   0.09     0.01   0.02  -0.01
    30   1     0.21   0.14   0.04     0.24   0.34   0.02     0.00   0.01  -0.01
    31   1    -0.02  -0.03  -0.28    -0.03   0.30  -0.25    -0.00   0.03  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5275               252.8526               278.9220
 Red. masses --      1.5312                 2.6408                 2.7921
 Frc consts  --      0.0488                 0.0995                 0.1280
 IR Inten    --      0.3953                 4.3300                 1.5316
 RamAct Fr= 1--      1.4896                 2.8470                 3.2558
  Dep-P Fr= 1--      0.7498                 0.1250                 0.3628
  Dep-U Fr= 1--      0.8570                 0.2222                 0.5324
 Alpha2 Fr= 1--      0.0000                 0.0469                 0.0274
 Beta2  Fr= 1--      0.2128                 0.1054                 0.2889
 AlphaG Fr= 1--     -0.0001                -0.0171                 0.0643
 Gamma2 Fr= 1--      1.0310                -0.8890                 1.3554
 Delta2 Fr= 1--      0.1920                -0.0116                 0.2949
 Raman1 Fr= 1--       5.959                 11.388                 13.023
 ROA1   Fr= 1--     105.119                -85.712                139.552
 CID1   Fr= 1--      17.642                 -7.527                 10.716
 Raman2 Fr= 1--       2.553                  1.265                  3.467
 ROA2   Fr= 1--      23.208                -21.243                 30.170
 CID2   Fr= 1--       9.090                -16.793                  8.703
 Raman3 Fr= 1--       5.107                  2.530                  6.934
 ROA3   Fr= 1--     105.119                -85.712                139.552
 CID3   Fr= 1--      20.585                -33.878                 20.127
 RC180  Fr= 1--       0.714                 -0.556                  0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.05    -0.01   0.02   0.00     0.00   0.01   0.10
     2   6    -0.01  -0.01  -0.01     0.03  -0.00  -0.01    -0.02  -0.01  -0.01
     3   6    -0.01   0.03   0.02    -0.02   0.09   0.03     0.02   0.02   0.16
     4   6     0.00   0.03  -0.01    -0.01   0.10   0.02     0.03  -0.01   0.02
     5   6     0.02   0.04   0.05     0.04   0.08  -0.01     0.00   0.00   0.06
     6   6     0.02   0.02   0.05     0.05   0.03  -0.02    -0.00   0.01   0.06
     7   6    -0.02  -0.00   0.07    -0.04  -0.01  -0.03    -0.00  -0.01  -0.01
     8   1    -0.04   0.04   0.02    -0.05   0.11   0.05     0.01   0.04   0.23
     9   1     0.03   0.06   0.08     0.08   0.11  -0.03    -0.01  -0.00   0.07
    10   1     0.04   0.01   0.07     0.09   0.01  -0.04     0.01   0.01   0.08
    11   6     0.01   0.01  -0.04    -0.03   0.05  -0.02     0.04  -0.02  -0.05
    12   6     0.06  -0.02  -0.03    -0.12  -0.14  -0.06     0.14   0.05  -0.02
    13   6    -0.00  -0.00  -0.02    -0.02   0.02  -0.00     0.01  -0.02  -0.04
    14   1    -0.02   0.01  -0.02    -0.06   0.05   0.03     0.04  -0.03  -0.07
    15   1     0.13   0.00  -0.05    -0.03  -0.13  -0.12     0.17   0.06  -0.02
    16   1     0.07  -0.09   0.02    -0.12  -0.33  -0.18     0.15   0.09   0.10
    17   1     0.03  -0.01  -0.03    -0.31  -0.16   0.08     0.24   0.06  -0.10
    18   8     0.00   0.01   0.01     0.01   0.01   0.08    -0.00   0.01  -0.02
    19   8    -0.03  -0.04  -0.03    -0.06  -0.07  -0.00    -0.04  -0.04  -0.07
    20   1    -0.03  -0.04  -0.06    -0.08  -0.04  -0.08    -0.03  -0.06  -0.11
    21   6    -0.02  -0.03   0.01    -0.02  -0.07  -0.02    -0.01  -0.02  -0.11
    22   6    -0.02  -0.04  -0.04     0.02  -0.07   0.02    -0.03  -0.00  -0.07
    23   6    -0.01  -0.05  -0.08     0.04  -0.06  -0.00    -0.04  -0.03  -0.14
    24   8    -0.02   0.01   0.02     0.01  -0.02   0.04    -0.03   0.05   0.13
    25   6     0.03   0.05  -0.02     0.15   0.09  -0.03    -0.06   0.00   0.02
    26   1    -0.03   0.01   0.11    -0.08  -0.00  -0.04     0.00  -0.02  -0.00
    27   1    -0.02  -0.03   0.00    -0.04  -0.09  -0.01    -0.01  -0.02  -0.15
    28   1    -0.01  -0.06  -0.12     0.07  -0.08   0.01    -0.05  -0.03  -0.17
    29   1     0.38   0.28  -0.36     0.03  -0.05   0.15    -0.39  -0.12   0.25
    30   1    -0.28  -0.31  -0.18     0.45   0.25   0.06     0.25   0.22   0.12
    31   1     0.04   0.23   0.49     0.07   0.14  -0.36    -0.08  -0.14  -0.42
                     13                     14                     15
                      A                      A                      A
 Frequencies --    309.4119               379.9418               405.6269
 Red. masses --      4.0225                 5.2758                 4.7443
 Frc consts  --      0.2269                 0.4487                 0.4599
 IR Inten    --      7.8900                 1.8029                 2.6533
 RamAct Fr= 1--     10.7143                 4.5018                 0.6505
  Dep-P Fr= 1--      0.1489                 0.4909                 0.6318
  Dep-U Fr= 1--      0.2592                 0.6585                 0.7744
 Alpha2 Fr= 1--      0.1661                 0.0232                 0.0014
 Beta2  Fr= 1--      0.4629                 0.4941                 0.0840
 AlphaG Fr= 1--      0.0104                -0.1107                 0.0210
 Gamma2 Fr= 1--      0.4828                -4.0741                -0.6681
 Delta2 Fr= 1--      0.4918                -0.0532                -0.4432
 Raman1 Fr= 1--      42.857                 18.007                  2.602
 ROA1   Fr= 1--      62.086               -392.813                -78.324
 CID1   Fr= 1--       1.449                -21.814                -30.103
 Raman2 Fr= 1--       5.554                  5.929                  1.007
 ROA2   Fr= 1--       7.652                -97.352                -12.490
 CID2   Fr= 1--       1.378                -16.420                -12.398
 Raman3 Fr= 1--      11.109                 11.858                  2.015
 ROA3   Fr= 1--      62.086               -392.813                -78.324
 CID3   Fr= 1--       5.589                -33.128                -38.874
 RC180  Fr= 1--      -0.482                  0.317                  0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.09  -0.00    -0.07  -0.07   0.10    -0.04  -0.12  -0.03
     2   6     0.03   0.07  -0.01    -0.02  -0.09   0.10     0.01  -0.15  -0.05
     3   6    -0.01   0.07  -0.00    -0.13  -0.02  -0.06    -0.08   0.10   0.10
     4   6    -0.07   0.02  -0.02    -0.12   0.01  -0.16    -0.03   0.18   0.11
     5   6    -0.05   0.03  -0.00    -0.02  -0.02  -0.10     0.09   0.14   0.08
     6   6    -0.03   0.05   0.01     0.01  -0.07   0.15     0.11  -0.10  -0.10
     7   6    -0.04   0.05  -0.00     0.07   0.01   0.07     0.05  -0.08  -0.08
     8   1     0.03   0.06   0.01    -0.19  -0.00  -0.07    -0.21   0.16   0.13
     9   1    -0.03   0.04  -0.01     0.05   0.03  -0.16     0.22   0.24   0.11
    10   1    -0.07   0.07   0.02     0.06  -0.07   0.26     0.24  -0.17  -0.18
    11   6    -0.09  -0.08   0.05    -0.16   0.15  -0.06    -0.08   0.06   0.01
    12   6     0.06   0.12   0.12     0.00  -0.05  -0.05     0.04   0.03   0.06
    13   6    -0.09  -0.10   0.01    -0.11   0.09   0.02    -0.06  -0.04  -0.04
    14   1    -0.14  -0.12   0.01    -0.15   0.18   0.02    -0.15   0.03   0.03
    15   1    -0.06   0.07   0.16     0.13  -0.08  -0.25     0.08   0.00  -0.02
    16   1     0.06   0.37   0.30     0.02  -0.18   0.05     0.05   0.07   0.21
    17   1     0.33   0.11  -0.03    -0.02  -0.11   0.06     0.16  -0.00   0.03
    18   8    -0.12  -0.16  -0.17     0.00  -0.07   0.03    -0.05  -0.10  -0.10
    19   8     0.00   0.05   0.03     0.09   0.05   0.14    -0.07  -0.08  -0.04
    20   1     0.01   0.05   0.16    -0.00   0.21   0.20    -0.09  -0.05  -0.10
    21   6    -0.03  -0.04  -0.01     0.07   0.08  -0.09     0.07   0.06   0.05
    22   6     0.04  -0.07  -0.00     0.10   0.07  -0.13     0.07   0.08   0.09
    23   6     0.06  -0.03  -0.02    -0.01  -0.02  -0.11    -0.00  -0.01   0.09
    24   8     0.06  -0.09   0.04     0.15   0.05   0.05     0.06   0.09  -0.09
    25   6     0.21   0.02  -0.01     0.05  -0.08   0.03    -0.08  -0.02  -0.00
    26   1    -0.10   0.08  -0.00     0.22  -0.04   0.12     0.16  -0.14  -0.15
    27   1    -0.07  -0.08  -0.00     0.07   0.09  -0.10     0.08   0.07   0.05
    28   1     0.12  -0.06  -0.03    -0.16   0.04  -0.14    -0.12   0.04   0.09
    29   1     0.28  -0.01  -0.00    -0.09  -0.07   0.05    -0.14   0.00  -0.01
    30   1     0.34   0.01  -0.01     0.05  -0.05   0.04    -0.25  -0.01  -0.01
    31   1     0.14   0.16  -0.09     0.10  -0.20  -0.04    -0.00  -0.17   0.11
                     16                     17                     18
                      A                      A                      A
 Frequencies --    413.9166               417.0567               483.6631
 Red. masses --      5.0462                 3.2451                 3.9238
 Frc consts  --      0.5094                 0.3326                 0.5408
 IR Inten    --      5.1257                 0.3325                 3.9036
 RamAct Fr= 1--      0.8436                 2.8125                 2.1602
  Dep-P Fr= 1--      0.6757                 0.7477                 0.5912
  Dep-U Fr= 1--      0.8064                 0.8556                 0.7431
 Alpha2 Fr= 1--      0.0011                 0.0001                 0.0064
 Beta2  Fr= 1--      0.1134                 0.4011                 0.2675
 AlphaG Fr= 1--      0.0041                -0.0022                 0.0130
 Gamma2 Fr= 1--     -0.0206                 0.2744                -0.5088
 Delta2 Fr= 1--     -0.6348                -0.2335                -0.1921
 Raman1 Fr= 1--       3.374                 11.250                  8.641
 ROA1   Fr= 1--     -22.290                 18.871                -54.989
 CID1   Fr= 1--      -6.606                  1.677                 -6.364
 Raman2 Fr= 1--       1.361                  4.813                  3.210
 ROA2   Fr= 1--       4.584                  8.454                -10.673
 CID2   Fr= 1--       3.369                  1.756                 -3.325
 Raman3 Fr= 1--       2.721                  9.626                  6.421
 ROA3   Fr= 1--     -22.290                 18.871                -54.989
 CID3   Fr= 1--      -8.191                  1.960                 -8.564
 RC180  Fr= 1--       0.613                  0.711                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.00  -0.03    -0.00   0.01   0.08    -0.06  -0.07  -0.03
     2   6    -0.09  -0.00  -0.05    -0.01  -0.02  -0.04    -0.06  -0.05   0.07
     3   6    -0.09  -0.06   0.11    -0.02  -0.03  -0.15    -0.07   0.03  -0.08
     4   6    -0.08  -0.05   0.12    -0.00   0.01   0.03    -0.01   0.08  -0.02
     5   6    -0.15  -0.07   0.12     0.01   0.04   0.15    -0.04   0.07  -0.14
     6   6    -0.17  -0.05  -0.06    -0.01  -0.05  -0.18    -0.01   0.01   0.10
     7   6    -0.03   0.05  -0.08     0.02   0.05   0.22     0.01  -0.01   0.06
     8   1    -0.05  -0.07   0.12    -0.04  -0.09  -0.38    -0.18   0.09  -0.03
     9   1    -0.19  -0.10   0.18     0.02   0.08   0.29    -0.01   0.07  -0.26
    10   1    -0.25  -0.03  -0.13    -0.01  -0.09  -0.35     0.09  -0.02   0.17
    11   6    -0.04   0.07  -0.05    -0.00   0.00   0.00     0.06  -0.10   0.13
    12   6     0.10   0.02  -0.04     0.00   0.01   0.01    -0.08   0.02   0.18
    13   6     0.05   0.09  -0.08     0.00  -0.00  -0.01     0.15  -0.05  -0.01
    14   1     0.03   0.11  -0.02    -0.01   0.00   0.00    -0.08  -0.17   0.14
    15   1     0.24   0.04  -0.12     0.02   0.01   0.01    -0.21   0.05   0.39
    16   1     0.12  -0.05   0.15     0.01   0.01   0.03    -0.09   0.14   0.05
    17   1     0.15   0.03  -0.08     0.01   0.01   0.00    -0.09   0.09   0.09
    18   8     0.11   0.10   0.07     0.00   0.00  -0.01     0.06   0.10  -0.01
    19   8     0.02  -0.08  -0.09    -0.00  -0.02  -0.01    -0.06  -0.05  -0.15
    20   1    -0.02  -0.04  -0.24    -0.02   0.01  -0.04     0.16  -0.39  -0.17
    21   6    -0.02   0.11   0.02    -0.01  -0.04  -0.18     0.00   0.05  -0.03
    22   6     0.05   0.07   0.06     0.00  -0.02  -0.08     0.02   0.02  -0.10
    23   6    -0.03   0.06   0.05     0.01   0.03   0.11    -0.05  -0.01  -0.02
    24   8     0.12  -0.12  -0.03     0.01   0.01   0.04     0.06   0.00   0.03
    25   6     0.22  -0.09   0.00     0.00  -0.00   0.01     0.05  -0.04   0.01
    26   1     0.03   0.01  -0.13     0.04   0.10   0.43     0.09  -0.01   0.19
    27   1    -0.03   0.10   0.02    -0.02  -0.07  -0.31     0.02   0.08   0.06
    28   1    -0.11   0.09   0.05     0.01   0.08   0.32    -0.14   0.05   0.05
    29   1     0.32  -0.09  -0.02    -0.06  -0.02   0.04     0.02  -0.03   0.01
    30   1     0.24  -0.10  -0.00     0.06   0.03   0.02     0.06  -0.04   0.01
    31   1     0.17   0.03   0.02     0.00  -0.03  -0.08     0.06  -0.05  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    484.0774               518.1040               534.9537
 Red. masses --      2.5924                 2.8962                 5.9310
 Frc consts  --      0.3579                 0.4581                 1.0000
 IR Inten    --     15.9038                35.9439                 4.1766
 RamAct Fr= 1--      0.1444                 2.6220                16.7587
  Dep-P Fr= 1--      0.7486                 0.7373                 0.3490
  Dep-U Fr= 1--      0.8562                 0.8488                 0.5174
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.1476
 Beta2  Fr= 1--      0.0206                 0.3709                 1.4453
 AlphaG Fr= 1--      0.0000                -0.0214                -0.0735
 Gamma2 Fr= 1--     -0.4857                 1.0503                 0.1938
 Delta2 Fr= 1--      0.0950                 0.3092                -0.0031
 Raman1 Fr= 1--       0.578                 10.488                 67.035
 ROA1   Fr= 1--     -43.583                110.721                 18.509
 CID1   Fr= 1--     -75.445                 10.557                  0.276
 Raman2 Fr= 1--       0.247                  4.451                 17.343
 ROA2   Fr= 1--     -12.416                 22.733                  4.677
 CID2   Fr= 1--     -50.203                  5.107                  0.270
 Raman3 Fr= 1--       0.495                  8.902                 34.686
 ROA3   Fr= 1--     -43.583                110.721                 18.509
 CID3   Fr= 1--     -88.111                 12.437                  0.534
 RC180  Fr= 1--       0.712                  0.698                  0.035
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.20    -0.01  -0.04   0.04     0.12  -0.00  -0.01
     2   6     0.01   0.04   0.19    -0.07  -0.04  -0.02    -0.09   0.07  -0.01
     3   6    -0.02  -0.02  -0.12    -0.01   0.04   0.02     0.07   0.10  -0.02
     4   6     0.00   0.02   0.03     0.02   0.05  -0.04    -0.06   0.05  -0.01
     5   6     0.00   0.02   0.04    -0.05   0.11   0.04    -0.25   0.12  -0.01
     6   6    -0.00  -0.02  -0.09    -0.04   0.00  -0.04    -0.23   0.10  -0.01
     7   6    -0.01  -0.02  -0.10     0.03  -0.04  -0.01     0.21  -0.05  -0.00
     8   1    -0.05  -0.10  -0.45    -0.10   0.08   0.05     0.04   0.10  -0.03
     9   1     0.00  -0.00  -0.07    -0.04   0.12   0.10    -0.31   0.07   0.01
    10   1    -0.01  -0.10  -0.40     0.03  -0.03  -0.05    -0.26   0.11  -0.00
    11   6     0.01  -0.01   0.02     0.06  -0.12  -0.07    -0.06   0.03  -0.00
    12   6    -0.01   0.00   0.03     0.03  -0.02  -0.14    -0.00   0.01   0.02
    13   6     0.02  -0.00  -0.00     0.05  -0.13   0.08    -0.01   0.05  -0.04
    14   1    -0.01  -0.02   0.02    -0.05  -0.24  -0.21    -0.06   0.05   0.04
    15   1    -0.01   0.01   0.05    -0.04  -0.03  -0.08     0.05   0.02  -0.01
    16   1    -0.01   0.02   0.02     0.02   0.01  -0.21     0.01   0.00   0.10
    17   1    -0.01   0.01   0.01     0.02  -0.02  -0.15     0.04   0.02  -0.01
    18   8     0.01   0.01  -0.01    -0.07   0.03   0.07     0.03   0.02   0.02
    19   8    -0.01  -0.02  -0.02     0.00   0.16   0.03     0.02  -0.03  -0.02
    20   1    -0.03   0.02  -0.06     0.40  -0.40   0.50    -0.09   0.12  -0.13
    21   6     0.00   0.02   0.05     0.02   0.02  -0.00     0.26  -0.23   0.04
    22   6     0.01   0.02   0.07     0.01   0.04   0.04     0.07  -0.14   0.03
    23   6    -0.01  -0.03  -0.12    -0.06  -0.00   0.02    -0.04  -0.17   0.04
    24   8     0.01  -0.00  -0.01     0.02  -0.03  -0.01     0.04   0.08  -0.02
    25   6     0.00  -0.00   0.00     0.04  -0.03   0.00    -0.08  -0.00   0.01
    26   1    -0.02  -0.11  -0.44     0.07  -0.07  -0.07     0.13  -0.02  -0.01
    27   1    -0.01  -0.02  -0.11     0.05   0.03  -0.08     0.21  -0.26   0.05
    28   1    -0.04  -0.11  -0.47    -0.12   0.02  -0.02     0.12  -0.24   0.05
    29   1     0.01  -0.01   0.01     0.06  -0.04   0.00    -0.18   0.01   0.01
    30   1    -0.00   0.00   0.00     0.05  -0.03   0.00    -0.18   0.01   0.01
    31   1     0.01  -0.01   0.00     0.03  -0.01   0.00    -0.00  -0.16   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    562.1624               583.2299               600.4842
 Red. masses --      1.8005                 2.5737                 2.7697
 Frc consts  --      0.3353                 0.5158                 0.5884
 IR Inten    --     22.6008                39.0534                 2.6734
 RamAct Fr= 1--      5.8467                 4.8524                 4.3202
  Dep-P Fr= 1--      0.4735                 0.1957                 0.4820
  Dep-U Fr= 1--      0.6426                 0.3273                 0.6505
 Alpha2 Fr= 1--      0.0325                 0.0667                 0.0231
 Beta2  Fr= 1--      0.6262                 0.2647                 0.4684
 AlphaG Fr= 1--     -0.1881                 0.2188                 0.0629
 Gamma2 Fr= 1--      4.1826                -0.1818                -0.0722
 Delta2 Fr= 1--      2.5079                -1.3920                 0.2261
 Raman1 Fr= 1--      23.387                 19.409                 17.281
 ROA1   Fr= 1--     481.781                -61.997                  0.303
 CID1   Fr= 1--      20.601                 -3.194                  0.018
 Raman2 Fr= 1--       7.515                  3.177                  5.621
 ROA2   Fr= 1--      80.318                  6.773                 -3.542
 CID2   Fr= 1--      10.688                  2.132                 -0.630
 Raman3 Fr= 1--      15.029                  6.353                 11.241
 ROA3   Fr= 1--     481.781                -61.997                  0.303
 CID3   Fr= 1--      32.056                 -9.758                  0.027
 RC180  Fr= 1--       0.285                 -0.345                  0.301
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.01    -0.09   0.05   0.01     0.03   0.02   0.09
     2   6    -0.05  -0.02  -0.00     0.00  -0.02  -0.03     0.01  -0.04  -0.15
     3   6     0.04   0.02   0.00    -0.07  -0.01   0.02     0.01   0.02  -0.00
     4   6     0.06   0.03  -0.02    -0.03  -0.02  -0.04    -0.03  -0.04  -0.19
     5   6    -0.02   0.07  -0.02     0.01  -0.02   0.01     0.00  -0.00   0.01
     6   6    -0.02   0.02  -0.00     0.02  -0.00  -0.00     0.00  -0.02   0.00
     7   6     0.05  -0.06   0.01    -0.09   0.08  -0.01     0.01  -0.01   0.06
     8   1    -0.04   0.04  -0.01    -0.06  -0.01   0.04     0.03   0.06   0.20
     9   1    -0.03   0.07   0.01     0.03   0.01   0.09     0.04   0.10   0.37
    10   1     0.06  -0.00   0.03     0.01   0.02   0.07     0.03   0.07   0.36
    11   6     0.07  -0.03   0.01     0.03  -0.13  -0.01    -0.02   0.00   0.04
    12   6     0.00  -0.00  -0.02     0.00  -0.01  -0.02    -0.04  -0.00   0.09
    13   6    -0.00  -0.02   0.02     0.06  -0.08   0.02    -0.00   0.04  -0.02
    14   1     0.05  -0.04   0.01    -0.06  -0.18  -0.06    -0.03   0.03   0.11
    15   1    -0.06  -0.00   0.04    -0.05   0.02   0.10    -0.08   0.01   0.15
    16   1    -0.01   0.02  -0.11    -0.00   0.06  -0.05    -0.05   0.02   0.04
    17   1    -0.04   0.01  -0.01     0.02   0.04  -0.11    -0.07   0.02   0.08
    18   8    -0.03   0.00  -0.03    -0.03   0.08   0.04     0.04   0.01   0.00
    19   8     0.02  -0.03   0.05     0.06   0.02   0.01     0.00  -0.02  -0.03
    20   1    -0.47   0.68  -0.31    -0.37   0.64  -0.25     0.07  -0.11  -0.02
    21   6     0.02   0.04  -0.01    -0.05  -0.02   0.00    -0.00  -0.01  -0.06
    22   6    -0.05   0.05  -0.01     0.09  -0.04   0.04    -0.00   0.07   0.23
    23   6    -0.06   0.06  -0.01     0.03  -0.10   0.02     0.01   0.02  -0.03
    24   8    -0.04  -0.08   0.02     0.11   0.12  -0.04    -0.03  -0.03  -0.04
    25   6     0.05  -0.03   0.00    -0.02   0.01  -0.00    -0.00   0.00  -0.01
    26   1     0.09  -0.08   0.02    -0.12   0.08  -0.05     0.00  -0.08  -0.23
    27   1     0.11   0.11  -0.04    -0.19  -0.14  -0.03    -0.00  -0.10  -0.54
    28   1    -0.12   0.08  -0.00     0.03  -0.11  -0.00    -0.00  -0.04  -0.27
    29   1     0.13  -0.04  -0.00    -0.15   0.03   0.01     0.04  -0.02   0.01
    30   1     0.13  -0.04   0.00    -0.15   0.04  -0.00     0.01   0.02   0.00
    31   1    -0.01   0.10  -0.02     0.06  -0.18   0.04    -0.02   0.04  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    630.3657               690.0618               697.3935
 Red. masses --      5.1648                 3.8696                 4.9659
 Frc consts  --      1.2092                 1.0856                 1.4230
 IR Inten    --      0.7329                 9.4380                 2.4551
 RamAct Fr= 1--      0.7221                 3.4560                 1.3170
  Dep-P Fr= 1--      0.7253                 0.1376                 0.0919
  Dep-U Fr= 1--      0.8408                 0.2419                 0.1683
 Alpha2 Fr= 1--      0.0003                 0.0551                 0.0235
 Beta2  Fr= 1--      0.1012                 0.1393                 0.0369
 AlphaG Fr= 1--      0.0119                -0.3178                 0.0226
 Gamma2 Fr= 1--      0.7919                -0.5120                -1.1359
 Delta2 Fr= 1--      0.1188                 0.6873                -0.4343
 Raman1 Fr= 1--       2.888                 13.824                  5.268
 ROA1   Fr= 1--      79.825                -27.160               -122.939
 CID1   Fr= 1--      27.636                 -1.965                -23.337
 Raman2 Fr= 1--       1.214                  1.672                  0.443
 ROA2   Fr= 1--      18.056                -17.786                -23.786
 CID2   Fr= 1--      14.870                -10.638                -53.665
 Raman3 Fr= 1--       2.428                  3.344                  0.886
 ROA3   Fr= 1--      79.825                -27.160               -122.939
 CID3   Fr= 1--      32.871                 -8.123               -138.685
 RC180  Fr= 1--       0.682                 -0.516                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.01   0.02     0.02  -0.03  -0.11    -0.05  -0.00  -0.07
     2   6    -0.17   0.03  -0.02     0.03  -0.02  -0.03    -0.05   0.02  -0.02
     3   6    -0.06  -0.18   0.03     0.03   0.04  -0.08    -0.09  -0.11  -0.00
     4   6     0.16  -0.05  -0.01     0.01   0.07   0.24    -0.01   0.01   0.16
     5   6     0.07   0.04  -0.03    -0.08  -0.03  -0.08     0.14  -0.01  -0.05
     6   6     0.02   0.23  -0.05    -0.05  -0.06   0.13     0.13   0.16   0.02
     7   6    -0.00   0.12  -0.01    -0.04  -0.02   0.14     0.15   0.16   0.03
     8   1    -0.11  -0.15   0.07     0.02  -0.00  -0.25    -0.09  -0.15  -0.13
     9   1    -0.11  -0.08   0.06    -0.07  -0.10  -0.45     0.10  -0.09  -0.31
    10   1     0.08   0.22   0.03    -0.08  -0.07   0.05     0.15   0.13  -0.07
    11   6     0.17   0.11   0.05     0.04   0.05  -0.00    -0.13  -0.05  -0.04
    12   6     0.02   0.01  -0.02     0.04   0.01  -0.09    -0.03  -0.01   0.03
    13   6    -0.02   0.07   0.06     0.06  -0.03   0.07    -0.06  -0.07  -0.10
    14   1     0.28   0.17   0.08     0.05   0.01  -0.11    -0.14  -0.06  -0.05
    15   1    -0.09  -0.06  -0.05     0.08  -0.02  -0.21     0.10   0.05   0.02
    16   1     0.00  -0.05  -0.30     0.05  -0.04  -0.06    -0.00   0.01   0.32
    17   1    -0.16  -0.07   0.20     0.05  -0.05  -0.01     0.13   0.04  -0.12
    18   8     0.02  -0.10  -0.15    -0.00  -0.01  -0.06    -0.06   0.02   0.14
    19   8    -0.11  -0.03   0.09    -0.06   0.00   0.05     0.11   0.03  -0.11
    20   1     0.06  -0.30   0.03    -0.06  -0.02  -0.06     0.03   0.19   0.14
    21   6     0.02  -0.00  -0.02    -0.06  -0.04  -0.10     0.14   0.01  -0.08
    22   6     0.04  -0.02   0.06     0.02   0.06   0.21    -0.02   0.01   0.12
    23   6    -0.15  -0.14   0.03     0.04   0.02  -0.07    -0.09  -0.07  -0.02
    24   8     0.08   0.04  -0.02     0.03   0.02  -0.04    -0.10  -0.10   0.01
    25   6     0.05  -0.04   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.00
    26   1    -0.00   0.11  -0.06    -0.07  -0.02   0.14     0.21   0.14   0.05
    27   1    -0.09  -0.11  -0.11    -0.08  -0.12  -0.44     0.13  -0.02  -0.24
    28   1    -0.20  -0.14  -0.04     0.04  -0.05  -0.34    -0.09  -0.11  -0.16
    29   1    -0.01  -0.03   0.01    -0.02  -0.00   0.01     0.09  -0.03  -0.00
    30   1    -0.02  -0.02   0.01    -0.05   0.03  -0.00     0.08  -0.01   0.00
    31   1     0.08  -0.12   0.02     0.02  -0.05   0.00    -0.09   0.15  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    737.6486               777.4397               783.6471
 Red. masses --      5.6038                 3.3565                 3.1645
 Frc consts  --      1.7965                 1.1953                 1.1450
 IR Inten    --      6.3277                 1.8537                 1.4997
 RamAct Fr= 1--     17.7828                36.4860                29.9613
  Dep-P Fr= 1--      0.0559                 0.0795                 0.0930
  Dep-U Fr= 1--      0.1060                 0.1473                 0.1702
 Alpha2 Fr= 1--      0.3463                 0.6715                 0.5336
 Beta2  Fr= 1--      0.3140                 0.8957                 0.8497
 AlphaG Fr= 1--     -0.1234                 0.1951                -0.2796
 Gamma2 Fr= 1--     -2.1650                 1.9096                -0.1320
 Delta2 Fr= 1--      0.0120                -0.0720                 0.7780
 Raman1 Fr= 1--      71.131                145.944                119.845
 ROA1   Fr= 1--    -207.456                181.013                 12.224
 CID1   Fr= 1--      -2.917                  1.240                  0.102
 Raman2 Fr= 1--       3.768                 10.749                 10.196
 ROA2   Fr= 1--     -52.057                 46.406                 -9.392
 CID2   Fr= 1--     -13.814                  4.317                 -0.921
 Raman3 Fr= 1--       7.537                 21.498                 20.392
 ROA3   Fr= 1--    -207.456                181.013                 12.224
 CID3   Fr= 1--     -27.525                  8.420                  0.599
 RC180  Fr= 1--      -0.788                 -0.705                 -0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.08   0.03    -0.01   0.03  -0.17    -0.02  -0.09  -0.14
     2   6     0.04  -0.03  -0.01    -0.01  -0.04   0.18     0.03   0.11   0.16
     3   6    -0.10   0.02  -0.00     0.05   0.10   0.01    -0.06  -0.07   0.06
     4   6    -0.11   0.01  -0.04     0.01   0.00  -0.08    -0.03  -0.04  -0.11
     5   6     0.02  -0.09   0.01    -0.02   0.02   0.08     0.03   0.01   0.07
     6   6     0.01  -0.13   0.01    -0.03  -0.17   0.01     0.02   0.12  -0.09
     7   6     0.15   0.22  -0.08     0.02   0.17  -0.02    -0.01  -0.13   0.04
     8   1    -0.05   0.01   0.04     0.09   0.15   0.25    -0.07   0.01   0.35
     9   1     0.13   0.02   0.13     0.06   0.06  -0.05    -0.04  -0.04   0.11
    10   1    -0.04  -0.08   0.13     0.03  -0.26  -0.24    -0.06   0.12  -0.24
    11   6    -0.05   0.07  -0.00     0.09  -0.06   0.02    -0.07   0.03  -0.02
    12   6     0.00   0.01  -0.05     0.03  -0.01  -0.01    -0.03   0.00   0.02
    13   6     0.26  -0.09   0.20    -0.09   0.09  -0.06     0.09  -0.05   0.06
    14   1    -0.23  -0.13  -0.26     0.14   0.04   0.20    -0.16  -0.06  -0.13
    15   1     0.08  -0.06  -0.27    -0.12   0.03   0.21     0.05  -0.02  -0.10
    16   1     0.02  -0.08   0.01     0.00   0.08  -0.21    -0.01  -0.05   0.14
    17   1     0.03  -0.10   0.10    -0.06   0.08  -0.09     0.02  -0.05   0.07
    18   8     0.05   0.08  -0.15     0.02  -0.03   0.01     0.01   0.04  -0.03
    19   8    -0.13   0.01   0.10     0.01  -0.01   0.02    -0.02   0.01   0.01
    20   1    -0.13  -0.05  -0.31     0.02  -0.02   0.06    -0.04   0.02  -0.10
    21   6     0.15   0.03   0.01     0.01   0.03  -0.10    -0.00  -0.06  -0.09
    22   6    -0.00  -0.05  -0.03     0.02   0.00   0.08    -0.00   0.03   0.07
    23   6     0.02  -0.05   0.02    -0.05  -0.09   0.01     0.05   0.07  -0.03
    24   8    -0.13  -0.11   0.04    -0.04  -0.03   0.00     0.02   0.02  -0.01
    25   6    -0.06   0.04  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   1     0.19   0.19  -0.13     0.02   0.26   0.29     0.04  -0.05   0.42
    27   1     0.10   0.00   0.03    -0.07   0.02   0.16     0.09   0.07   0.22
    28   1     0.06  -0.06   0.08    -0.15  -0.15  -0.36     0.10  -0.07  -0.48
    29   1     0.06   0.01  -0.01     0.03  -0.00  -0.00    -0.01   0.00   0.00
    30   1     0.06   0.01  -0.00     0.02   0.00  -0.00    -0.02   0.00  -0.00
    31   1    -0.15   0.21  -0.04    -0.04   0.06  -0.00     0.02  -0.03   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.2940               825.7872               837.0407
 Red. masses --      1.4563                 1.8502                 2.5557
 Frc consts  --      0.5773                 0.7434                 1.0550
 IR Inten    --     27.7997                 3.1969                 7.3304
 RamAct Fr= 1--      0.8081                 1.4983                 3.7798
  Dep-P Fr= 1--      0.3023                 0.3406                 0.3921
  Dep-U Fr= 1--      0.4643                 0.5082                 0.5633
 Alpha2 Fr= 1--      0.0082                 0.0136                 0.0288
 Beta2  Fr= 1--      0.0625                 0.1269                 0.3549
 AlphaG Fr= 1--     -0.0030                -0.0086                -0.0454
 Gamma2 Fr= 1--      0.0971                 0.6244                -0.1941
 Delta2 Fr= 1--     -0.0013                 0.1533                 0.5437
 Raman1 Fr= 1--       3.233                  5.993                 15.119
 ROA1   Fr= 1--       9.279                 64.852                 -1.237
 CID1   Fr= 1--       2.870                 10.821                 -0.082
 Raman2 Fr= 1--       0.750                  1.523                  4.258
 ROA2   Fr= 1--       2.340                 13.760                 -9.009
 CID2   Fr= 1--       3.118                  9.037                 -2.116
 Raman3 Fr= 1--       1.501                  3.045                  8.517
 ROA3   Fr= 1--       9.279                 64.852                 -1.237
 CID3   Fr= 1--       6.182                 21.295                 -0.145
 RC180  Fr= 1--      -0.071                  0.016                  0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.09     0.02  -0.00  -0.08     0.06   0.04   0.00
     2   6    -0.01  -0.01  -0.02    -0.01   0.01   0.10    -0.06  -0.04  -0.02
     3   6     0.02   0.01   0.00     0.05   0.01  -0.03     0.13   0.04  -0.01
     4   6     0.01   0.01   0.04     0.02   0.01   0.06     0.03  -0.03  -0.09
     5   6    -0.00  -0.02  -0.07    -0.00  -0.02  -0.06     0.03  -0.02   0.07
     6   6    -0.01  -0.02  -0.03    -0.01  -0.05  -0.09     0.00  -0.03   0.07
     7   6    -0.01  -0.01  -0.09    -0.01   0.03   0.06    -0.03   0.02  -0.02
     8   1     0.02  -0.07  -0.29     0.09   0.06   0.21     0.24   0.01   0.02
     9   1     0.02   0.07   0.28     0.03   0.11   0.48     0.01  -0.11  -0.30
    10   1     0.03   0.07   0.38     0.04   0.08   0.49     0.02  -0.16  -0.40
    11   6     0.00   0.02   0.00     0.00   0.07   0.01    -0.03   0.13  -0.02
    12   6    -0.00   0.01   0.00    -0.00   0.02   0.01    -0.04   0.04   0.08
    13   6    -0.00  -0.02  -0.00     0.00  -0.07   0.00     0.05  -0.12   0.04
    14   1     0.02   0.01  -0.03     0.04   0.04  -0.09    -0.02   0.05  -0.22
    15   1     0.02  -0.01  -0.05     0.05  -0.03  -0.16     0.08  -0.08  -0.27
    16   1     0.00  -0.02   0.02     0.01  -0.07   0.04    -0.02  -0.16   0.14
    17   1    -0.00  -0.02   0.05    -0.01  -0.07   0.15    -0.06  -0.15   0.37
    18   8    -0.01  -0.00   0.01    -0.04  -0.01   0.02    -0.06   0.01   0.02
    19   8     0.01   0.00  -0.02     0.03   0.01  -0.05     0.03   0.01  -0.07
    20   1     0.01   0.00   0.02    -0.00   0.06   0.03    -0.01   0.09  -0.01
    21   6    -0.01  -0.02  -0.09    -0.01   0.01   0.05    -0.04  -0.00  -0.01
    22   6     0.00   0.01   0.06    -0.01  -0.02  -0.08    -0.02   0.03   0.04
    23   6    -0.02  -0.00   0.03    -0.04  -0.01   0.05    -0.12  -0.05  -0.02
    24   8     0.00   0.00  -0.01     0.01   0.01   0.02     0.03   0.03  -0.02
    25   6     0.01  -0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
    26   1     0.01   0.13   0.46    -0.06  -0.04  -0.28    -0.11   0.07   0.06
    27   1     0.02   0.14   0.58    -0.05  -0.08  -0.30    -0.05  -0.00   0.06
    28   1    -0.05  -0.05  -0.20    -0.10  -0.08  -0.33    -0.21   0.06   0.27
    29   1     0.01  -0.00  -0.01    -0.00  -0.01   0.01     0.02  -0.03   0.00
    30   1    -0.00  -0.01  -0.00     0.01  -0.01   0.01     0.01  -0.03   0.00
    31   1     0.01  -0.00   0.03     0.02  -0.02  -0.01     0.06  -0.06   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    856.7248               896.5177               922.8416
 Red. masses --      3.2179                 1.6913                 1.4952
 Frc consts  --      1.3916                 0.8009                 0.7503
 IR Inten    --      3.4848                34.0012                 7.9393
 RamAct Fr= 1--     20.1204                 2.4720                 1.2811
  Dep-P Fr= 1--      0.0971                 0.7308                 0.4958
  Dep-U Fr= 1--      0.1770                 0.8445                 0.6629
 Alpha2 Fr= 1--      0.3548                 0.0008                 0.0065
 Beta2  Fr= 1--      0.5935                 0.3479                 0.1415
 AlphaG Fr= 1--      0.3352                 0.0055                 0.0620
 Gamma2 Fr= 1--     -0.8715                -0.4068                 0.0045
 Delta2 Fr= 1--     -0.4951                -0.2206                -0.1436
 Raman1 Fr= 1--      80.481                  9.888                  5.125
 ROA1   Fr= 1--     -99.512                -46.114                 -4.166
 CID1   Fr= 1--      -1.236                 -4.664                 -0.813
 Raman2 Fr= 1--       7.122                  4.175                  1.699
 ROA2   Fr= 1--     -16.956                 -7.998                  1.255
 CID2   Fr= 1--      -2.381                 -1.916                  0.739
 Raman3 Fr= 1--      14.244                  8.350                  3.397
 ROA3   Fr= 1--     -99.512                -46.114                 -4.166
 CID3   Fr= 1--      -6.986                 -5.523                 -1.226
 RC180  Fr= 1--      -0.646                  0.689                  0.326
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.03     0.01   0.02   0.07
     2   6     0.07   0.01  -0.02     0.01   0.03   0.11    -0.01  -0.00  -0.03
     3   6    -0.13  -0.06   0.02     0.00   0.00   0.00    -0.01  -0.02  -0.16
     4   6     0.01   0.03  -0.03    -0.00   0.00   0.02    -0.01   0.01   0.06
     5   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.02   0.00
     6   6    -0.07  -0.03   0.03    -0.00  -0.01  -0.05     0.01   0.01   0.02
     7   6     0.02   0.02  -0.01     0.00   0.00   0.02     0.00  -0.00   0.01
     8   1    -0.27   0.01   0.08     0.00   0.01   0.04     0.04   0.22   0.83
     9   1    -0.11  -0.01  -0.05     0.02   0.09   0.36     0.02  -0.02  -0.01
    10   1    -0.16  -0.03  -0.12     0.01   0.03   0.13    -0.02  -0.02  -0.10
    11   6     0.16   0.14   0.06    -0.00  -0.01   0.01    -0.01  -0.00   0.02
    12   6     0.06   0.05   0.03     0.00  -0.00  -0.01     0.01  -0.00  -0.03
    13   6    -0.04  -0.11  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.01
    14   1     0.17   0.13   0.06     0.00  -0.00   0.00    -0.00   0.01   0.05
    15   1    -0.14  -0.10  -0.07     0.01   0.01  -0.00     0.00   0.01   0.00
    16   1     0.03  -0.06  -0.43     0.00   0.01   0.01     0.01   0.02  -0.01
    17   1    -0.24  -0.10   0.43     0.02   0.01  -0.03     0.03   0.02  -0.07
    18   8    -0.10  -0.05   0.05     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8     0.07   0.00  -0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1     0.01   0.12   0.10     0.00  -0.01   0.00    -0.02   0.03  -0.01
    21   6     0.03   0.00  -0.01    -0.00  -0.01  -0.03     0.00  -0.03  -0.05
    22   6     0.04  -0.02   0.02     0.01   0.02   0.09    -0.01   0.01   0.01
    23   6     0.15   0.04  -0.04    -0.01  -0.04  -0.18    -0.01   0.01   0.01
    24   8    -0.03  -0.05   0.01    -0.00  -0.00  -0.02     0.00   0.01  -0.01
    25   6    -0.06   0.05  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.00
    26   1     0.12  -0.01   0.03    -0.00  -0.00  -0.02    -0.03  -0.05  -0.21
    27   1     0.01   0.00   0.05     0.00   0.01   0.04     0.04   0.08   0.38
    28   1     0.30   0.01   0.08     0.05   0.21   0.86    -0.02   0.01  -0.00
    29   1    -0.02   0.04  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.02   0.04  -0.01    -0.00   0.00  -0.00     0.01  -0.01   0.00
    31   1    -0.08   0.09  -0.01     0.00   0.00   0.00     0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.7644               953.9645               967.4276
 Red. masses --      3.5890                 1.3449                 1.3279
 Frc consts  --      1.8556                 0.7211                 0.7323
 IR Inten    --     13.7091                 1.6100                 1.4722
 RamAct Fr= 1--      6.7014                 1.7165                 1.3451
  Dep-P Fr= 1--      0.3689                 0.6360                 0.7496
  Dep-U Fr= 1--      0.5390                 0.7775                 0.8569
 Alpha2 Fr= 1--      0.0553                 0.0035                 0.0000
 Beta2  Fr= 1--      0.6020                 0.2224                 0.1921
 AlphaG Fr= 1--      0.1282                 0.0049                -0.0040
 Gamma2 Fr= 1--      3.7327                -0.4908                 0.2209
 Delta2 Fr= 1--     -1.8866                 0.5813                -0.2477
 Raman1 Fr= 1--      26.806                  6.866                  5.380
 ROA1   Fr= 1--     297.966                -28.514                 13.280
 CID1   Fr= 1--      11.116                 -4.153                  2.468
 Raman2 Fr= 1--       7.224                  2.669                  2.305
 ROA2   Fr= 1--     104.678                -16.430                  7.283
 CID2   Fr= 1--      14.489                 -6.155                  3.159
 Raman3 Fr= 1--      14.449                  5.338                  4.610
 ROA3   Fr= 1--     297.966                -28.514                 13.280
 CID3   Fr= 1--      20.622                 -5.341                  2.880
 RC180  Fr= 1--       0.078                  0.555                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.06   0.02     0.00   0.01   0.04    -0.00  -0.00  -0.02
     2   6     0.04  -0.07   0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     3   6     0.08  -0.13  -0.00    -0.00  -0.01  -0.06     0.00   0.01   0.03
     4   6     0.11  -0.03   0.01     0.00   0.00   0.02    -0.00   0.00   0.00
     5   6    -0.12   0.19  -0.04    -0.00  -0.00  -0.03    -0.01  -0.03  -0.11
     6   6    -0.04   0.02   0.00     0.00   0.01   0.02     0.01   0.03   0.11
     7   6    -0.03   0.04   0.00    -0.01  -0.03  -0.12     0.00   0.01   0.03
     8   1     0.12  -0.09   0.20     0.02   0.07   0.29    -0.01  -0.03  -0.13
     9   1    -0.21   0.13  -0.02     0.00   0.04   0.18     0.04   0.16   0.66
    10   1     0.16  -0.06  -0.02    -0.00  -0.03  -0.14    -0.04  -0.16  -0.65
    11   6    -0.05  -0.02  -0.07    -0.01  -0.00   0.01    -0.00  -0.00   0.01
    12   6    -0.09   0.00   0.05    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    13   6     0.01   0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.07  -0.05  -0.27     0.00   0.00   0.01     0.00  -0.00  -0.00
    15   1     0.19   0.02  -0.18     0.01   0.01  -0.01     0.01   0.00  -0.00
    16   1    -0.04  -0.10   0.48     0.00   0.00   0.02     0.00   0.00   0.00
    17   1     0.14  -0.06   0.01     0.02   0.00  -0.03     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   8    -0.01   0.00   0.03     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.01  -0.00  -0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
    21   6    -0.11   0.19  -0.06     0.00   0.03   0.09    -0.00  -0.00  -0.01
    22   6     0.10  -0.04   0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    23   6     0.11  -0.12   0.02     0.00  -0.01  -0.01     0.00   0.01   0.02
    24   8    -0.01  -0.07   0.02     0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.08   0.08  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.15  -0.05  -0.10     0.05   0.16   0.70    -0.01  -0.04  -0.16
    27   1    -0.17   0.17   0.09    -0.04  -0.12  -0.53     0.01   0.02   0.08
    28   1     0.19  -0.16   0.03     0.01  -0.00   0.02    -0.01  -0.02  -0.10
    29   1    -0.04   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.04   0.06  -0.02    -0.00   0.01   0.00     0.00  -0.00   0.00
    31   1    -0.10   0.12  -0.02    -0.00   0.00  -0.02     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    979.8591              1029.0931              1069.4625
 Red. masses --      3.5405                 2.1354                 3.6636
 Frc consts  --      2.0028                 1.3324                 2.4688
 IR Inten    --      1.7837                 4.7051                54.9361
 RamAct Fr= 1--     20.7640                 4.4129                 2.4242
  Dep-P Fr= 1--      0.1413                 0.4473                 0.1047
  Dep-U Fr= 1--      0.2476                 0.6181                 0.1895
 Alpha2 Fr= 1--      0.3282                 0.0274                 0.0420
 Beta2  Fr= 1--      0.8567                 0.4546                 0.0766
 AlphaG Fr= 1--     -0.2275                 0.1246                 0.0144
 Gamma2 Fr= 1--     -1.2194                -0.2752                 0.0211
 Delta2 Fr= 1--      0.0074                -1.2682                -0.0957
 Raman1 Fr= 1--      83.056                 17.652                  9.697
 ROA1   Fr= 1--    -116.823                -67.005                 -1.042
 CID1   Fr= 1--      -1.407                 -3.796                 -0.107
 Raman2 Fr= 1--      10.281                  5.455                  0.919
 ROA2   Fr= 1--     -29.324                  3.541                  1.271
 CID2   Fr= 1--      -2.852                  0.649                  1.383
 Raman3 Fr= 1--      20.562                 10.910                  1.838
 ROA3   Fr= 1--    -116.823                -67.005                 -1.042
 CID3   Fr= 1--      -5.681                 -6.142                 -0.567
 RC180  Fr= 1--      -0.505                  0.236                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.00     0.05   0.00  -0.01     0.01  -0.01   0.00
     2   6     0.00   0.02  -0.01     0.00  -0.02   0.00     0.07   0.04  -0.01
     3   6     0.04   0.17  -0.03     0.05  -0.10   0.03    -0.03  -0.04   0.01
     4   6    -0.08  -0.00   0.00    -0.02  -0.03  -0.01    -0.00   0.01   0.00
     5   6     0.04  -0.17   0.04    -0.03   0.09  -0.01    -0.02   0.04  -0.01
     6   6     0.01   0.13  -0.03     0.01  -0.01   0.00    -0.01  -0.04   0.01
     7   6    -0.00  -0.12   0.03    -0.01   0.02  -0.00     0.04   0.02  -0.01
     8   1     0.05   0.15  -0.10     0.26  -0.21  -0.03    -0.06  -0.03   0.02
     9   1    -0.06  -0.25   0.05    -0.01   0.11  -0.05     0.06   0.10  -0.02
    10   1    -0.28   0.25  -0.04     0.20  -0.08   0.01    -0.03  -0.03   0.01
    11   6    -0.01   0.03   0.06    -0.12   0.09   0.13     0.01  -0.01  -0.01
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12     0.00   0.01   0.01
    13   6     0.01  -0.02   0.01     0.04  -0.05   0.06    -0.00   0.00  -0.01
    14   1    -0.07   0.05   0.18    -0.34   0.14   0.52    -0.00  -0.02  -0.03
    15   1    -0.09  -0.01   0.07    -0.10   0.05   0.21    -0.01  -0.01  -0.01
    16   1     0.03   0.06  -0.28     0.03   0.19  -0.29     0.00  -0.01  -0.02
    17   1    -0.08   0.04  -0.02    -0.02   0.14  -0.34    -0.02  -0.01   0.05
    18   8    -0.01  -0.00   0.00    -0.02   0.00   0.00     0.00   0.00  -0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.06    -0.00  -0.00   0.00
    20   1     0.01  -0.01  -0.02     0.01  -0.01  -0.06    -0.01   0.01   0.01
    21   6    -0.06   0.22  -0.05    -0.03   0.01  -0.00    -0.02   0.11  -0.02
    22   6     0.07  -0.01  -0.00    -0.00   0.00   0.00    -0.16  -0.06   0.02
    23   6    -0.02  -0.22   0.05     0.00  -0.00   0.00     0.03  -0.08   0.02
    24   8    -0.00  -0.04   0.01     0.00   0.00  -0.00    -0.15   0.21  -0.04
    25   6    -0.05   0.04  -0.01     0.00   0.00  -0.00     0.18  -0.21   0.04
    26   1     0.33  -0.26   0.02    -0.06   0.04  -0.01     0.24  -0.06  -0.00
    27   1     0.08   0.33  -0.07    -0.06  -0.01   0.01     0.13   0.23  -0.06
    28   1     0.06  -0.25   0.05    -0.01   0.00  -0.00     0.63  -0.34   0.04
    29   1    -0.00   0.03  -0.01    -0.00   0.00   0.00     0.09  -0.15   0.02
    30   1    -0.00   0.03  -0.01    -0.00   0.00  -0.00     0.09  -0.14   0.04
    31   1    -0.07   0.08  -0.02     0.01  -0.01   0.00     0.15  -0.16   0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1090.5916              1098.9766              1166.7862
 Red. masses --      2.1334                 1.9742                 1.5265
 Frc consts  --      1.4950                 1.4048                 1.2244
 IR Inten    --      2.8333                20.1617                18.3443
 RamAct Fr= 1--      1.9209                12.1800                 3.5399
  Dep-P Fr= 1--      0.6624                 0.1800                 0.7074
  Dep-U Fr= 1--      0.7969                 0.3051                 0.8286
 Alpha2 Fr= 1--      0.0030                 0.1743                 0.0026
 Beta2  Fr= 1--      0.2551                 0.6193                 0.4889
 AlphaG Fr= 1--     -0.0100                -0.2971                -0.0022
 Gamma2 Fr= 1--      0.1760                -2.2773                -0.4406
 Delta2 Fr= 1--      0.0933                 2.1352                -1.2359
 Raman1 Fr= 1--       7.683                 48.720                 14.159
 ROA1   Fr= 1--      19.879               -150.293                -81.846
 CID1   Fr= 1--       2.587                 -3.085                 -5.780
 Raman2 Fr= 1--       3.061                  7.431                  5.866
 ROA2   Fr= 1--       3.476                -71.737                 -0.687
 CID2   Fr= 1--       1.135                 -9.653                 -0.117
 Raman3 Fr= 1--       6.123                 14.863                 11.733
 ROA3   Fr= 1--      19.879               -150.293                -81.846
 CID3   Fr= 1--       3.247                -10.112                 -6.976
 RC180  Fr= 1--       0.594                 -0.390                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.01     0.02   0.07  -0.02
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01   0.05  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.05   0.00    -0.05  -0.04   0.02
     4   6     0.10   0.06  -0.01     0.05  -0.00  -0.06    -0.06  -0.03   0.00
     5   6     0.02  -0.06   0.01     0.01  -0.02   0.02     0.02   0.05  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.03  -0.04   0.01
     7   6     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.05  -0.06   0.02
     8   1    -0.17   0.08  -0.01    -0.22   0.11  -0.08     0.11  -0.11   0.02
     9   1    -0.04  -0.11   0.05    -0.02  -0.06  -0.03     0.39   0.33  -0.11
    10   1    -0.22   0.03   0.00    -0.10   0.03  -0.01    -0.16   0.01   0.01
    11   6     0.04   0.14  -0.15     0.05  -0.00   0.16     0.05   0.01  -0.00
    12   6    -0.05  -0.13   0.06    -0.11  -0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.05  -0.08  -0.01    -0.02   0.02   0.09     0.01  -0.02  -0.02
    14   1    -0.03   0.23   0.17     0.31   0.10   0.11     0.23   0.11   0.01
    15   1    -0.04   0.11   0.55     0.32   0.13  -0.27     0.05   0.03   0.02
    16   1    -0.06   0.24   0.26    -0.05  -0.03   0.52    -0.01   0.01   0.09
    17   1     0.08   0.17  -0.44     0.32  -0.02  -0.35     0.05   0.00  -0.06
    18   8    -0.02  -0.00  -0.00    -0.03  -0.03   0.00    -0.00   0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.07    -0.01   0.00   0.01
    20   1    -0.04   0.05   0.15     0.05  -0.04  -0.13    -0.02   0.03   0.08
    21   6    -0.01   0.00   0.00     0.01  -0.01   0.00     0.05   0.03  -0.01
    22   6    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.02  -0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.05   0.01
    24   8     0.00  -0.00  -0.00    -0.01   0.01  -0.00     0.04  -0.02   0.00
    25   6     0.00   0.00  -0.00     0.01  -0.01   0.00    -0.03   0.02  -0.01
    26   1     0.04   0.00  -0.00     0.03   0.00  -0.00    -0.36   0.06   0.01
    27   1    -0.05  -0.03   0.01    -0.01  -0.02   0.01     0.50   0.36  -0.12
    28   1     0.07  -0.03   0.00     0.03   0.00  -0.00     0.01  -0.07   0.02
    29   1    -0.01   0.00   0.00     0.00  -0.01   0.00     0.02   0.00  -0.00
    30   1    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    31   1     0.00  -0.01   0.00     0.01  -0.00   0.00    -0.01  -0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.5185              1175.7493              1181.4183
 Red. masses --      1.2705                 2.0340                 1.7999
 Frc consts  --      1.0291                 1.6566                 1.4802
 IR Inten    --      0.8252                77.6461                 6.0445
 RamAct Fr= 1--      0.7481                34.3949                10.4449
  Dep-P Fr= 1--      0.7408                 0.3447                 0.6902
  Dep-U Fr= 1--      0.8511                 0.5126                 0.8167
 Alpha2 Fr= 1--      0.0001                 0.3072                 0.0109
 Beta2  Fr= 1--      0.1061                 2.9386                 1.4218
 AlphaG Fr= 1--      0.0098                -0.0381                 0.0113
 Gamma2 Fr= 1--      0.0607                 3.7506                 1.6125
 Delta2 Fr= 1--     -0.0119                 5.3844                -1.7149
 Raman1 Fr= 1--       2.993                137.580                 41.780
 ROA1   Fr= 1--       5.449                532.354                 99.926
 CID1   Fr= 1--       1.821                  3.869                  2.392
 Raman2 Fr= 1--       1.273                 35.264                 17.062
 ROA2   Fr= 1--       1.553                 46.939                 52.420
 CID2   Fr= 1--       1.219                  1.331                  3.072
 Raman3 Fr= 1--       2.547                 70.527                 34.123
 ROA3   Fr= 1--       5.449                532.354                 99.926
 CID3   Fr= 1--       2.140                  7.548                  2.928
 RC180  Fr= 1--       0.702                  0.025                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02  -0.02   0.00    -0.02   0.04  -0.01
     2   6    -0.00  -0.00  -0.00    -0.03   0.06  -0.01     0.02  -0.04   0.01
     3   6     0.00   0.00   0.00     0.02  -0.05   0.00    -0.02   0.03  -0.01
     4   6     0.00   0.00  -0.00     0.09   0.06   0.00    -0.03  -0.03   0.03
     5   6    -0.00  -0.00   0.00     0.06  -0.02  -0.00    -0.05   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.05  -0.06   0.02     0.05   0.03  -0.01
     7   6     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.03   0.01
     8   1    -0.00   0.00  -0.00    -0.16   0.03   0.03     0.09  -0.00   0.02
     9   1    -0.01  -0.00   0.00     0.33   0.19  -0.05    -0.35  -0.21   0.08
    10   1     0.00  -0.00  -0.00    -0.38   0.07   0.01     0.39  -0.10   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.03  -0.05     0.02   0.02  -0.09
    12   6     0.00   0.00   0.00     0.03  -0.01   0.01     0.01  -0.05   0.04
    13   6    -0.00   0.00   0.00    -0.05   0.10   0.15    -0.03   0.06   0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.23  -0.18     0.10   0.02  -0.18
    15   1    -0.00  -0.00   0.00    -0.09  -0.04   0.06    -0.06   0.00   0.20
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.12    -0.01   0.07  -0.03
    17   1    -0.00   0.00   0.00    -0.08   0.01   0.04    -0.03   0.05  -0.08
    18   8    -0.00  -0.00   0.00    -0.03  -0.03   0.00    -0.04  -0.03   0.00
    19   8     0.00   0.00  -0.00     0.06   0.01  -0.06     0.05   0.01  -0.05
    20   1     0.00  -0.00  -0.00     0.12  -0.16  -0.46     0.11  -0.14  -0.42
    21   6    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.04  -0.01   0.00
    22   6     0.00   0.00   0.00    -0.04  -0.02   0.01     0.02   0.03  -0.01
    23   6     0.00  -0.00  -0.00    -0.03   0.00   0.00     0.03  -0.02   0.00
    24   8     0.00   0.01   0.06     0.04  -0.04   0.01    -0.01   0.03  -0.01
    25   6    -0.01  -0.03  -0.13     0.00   0.06  -0.01    -0.03  -0.05   0.01
    26   1     0.00  -0.00  -0.00     0.05  -0.00  -0.00    -0.26   0.06   0.00
    27   1    -0.00   0.00   0.01    -0.03   0.02  -0.00     0.27   0.15  -0.06
    28   1     0.00   0.00   0.01     0.15  -0.08   0.01    -0.05   0.01   0.00
    29   1     0.39  -0.48   0.27    -0.11   0.04   0.03     0.15  -0.04  -0.03
    30   1    -0.36   0.56   0.07    -0.11   0.03  -0.03     0.15  -0.03   0.03
    31   1     0.02   0.07   0.27     0.11  -0.16   0.03    -0.14   0.19  -0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3328              1200.5127              1205.1791
 Red. masses --      1.6680                 1.3746                 1.6281
 Frc consts  --      1.3901                 1.1673                 1.3932
 IR Inten    --     61.4327                23.5445                 0.5224
 RamAct Fr= 1--      8.2456                56.6527                 1.3155
  Dep-P Fr= 1--      0.3915                 0.2100                 0.7376
  Dep-U Fr= 1--      0.5627                 0.3471                 0.8490
 Alpha2 Fr= 1--      0.0629                 0.7491                 0.0003
 Beta2  Fr= 1--      0.7733                 3.2776                 0.1861
 AlphaG Fr= 1--     -0.0115                -0.0591                -0.0001
 Gamma2 Fr= 1--      0.1930                -8.0431                 0.7622
 Delta2 Fr= 1--      0.0125                -0.1963                -0.4326
 Raman1 Fr= 1--      32.983                226.611                  5.262
 ROA1   Fr= 1--      18.928               -778.415                 59.332
 CID1   Fr= 1--       0.574                 -3.435                 11.276
 Raman2 Fr= 1--       9.279                 39.331                  2.234
 ROA2   Fr= 1--       4.532               -191.463                 21.754
 CID2   Fr= 1--       0.488                 -4.868                  9.739
 Raman3 Fr= 1--      18.559                 78.662                  4.467
 ROA3   Fr= 1--      18.928               -778.415                 59.332
 CID3   Fr= 1--       1.020                 -9.896                 13.281
 RC180  Fr= 1--       0.125                 -0.306                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04  -0.01    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.12   0.05  -0.01     0.01   0.01  -0.00    -0.08   0.06  -0.01
     3   6     0.02   0.02  -0.01    -0.00   0.01  -0.00     0.03  -0.03   0.01
     4   6    -0.03   0.01  -0.01    -0.11  -0.04   0.02     0.03   0.05  -0.02
     5   6    -0.02  -0.03   0.01     0.00   0.04  -0.01     0.01  -0.02   0.00
     6   6     0.05  -0.04   0.01     0.01   0.02  -0.01    -0.00  -0.05   0.01
     7   6     0.04  -0.02   0.00     0.03  -0.02   0.00     0.01  -0.04   0.01
     8   1     0.20  -0.05   0.00     0.36  -0.13   0.03     0.14  -0.07   0.01
     9   1    -0.10  -0.09   0.03     0.30   0.27  -0.08     0.18   0.10  -0.04
    10   1     0.52  -0.23   0.02    -0.08   0.06  -0.01    -0.07  -0.03   0.01
    11   6     0.03   0.00   0.00     0.05   0.01  -0.05     0.00  -0.01   0.02
    12   6    -0.01  -0.00  -0.00    -0.01  -0.03   0.02    -0.01   0.01  -0.01
    13   6     0.00  -0.01  -0.01     0.00   0.01   0.05    -0.01   0.01  -0.02
    14   1     0.08   0.03  -0.00     0.35   0.14  -0.10    -0.15  -0.09   0.02
    15   1     0.03   0.01  -0.01     0.01   0.02   0.11     0.02   0.00  -0.06
    16   1    -0.01  -0.00   0.05    -0.01   0.04   0.02    -0.00  -0.02   0.03
    17   1     0.03  -0.00  -0.03     0.02   0.03  -0.08     0.02  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.02  -0.01  -0.00     0.01   0.00   0.00
    19   8    -0.00   0.00   0.00     0.02   0.01  -0.01    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.02     0.03  -0.04  -0.13    -0.01   0.01   0.06
    21   6    -0.02  -0.01   0.00    -0.03  -0.01   0.01    -0.02  -0.03   0.01
    22   6    -0.09   0.01   0.00     0.02  -0.00  -0.00     0.04   0.06  -0.02
    23   6     0.01   0.02  -0.00    -0.01   0.02  -0.00     0.02  -0.02   0.00
    24   8     0.07  -0.05   0.01    -0.03   0.00   0.00     0.04   0.04  -0.01
    25   6    -0.00   0.08  -0.02     0.02  -0.01  -0.00    -0.10  -0.08   0.02
    26   1     0.24  -0.10   0.01     0.46  -0.19   0.02     0.13  -0.09   0.01
    27   1     0.09   0.07  -0.02    -0.32  -0.22   0.08    -0.12  -0.12   0.04
    28   1     0.54  -0.21   0.02    -0.16   0.08  -0.01     0.22  -0.11   0.01
    29   1    -0.13   0.05   0.03    -0.04   0.00   0.01     0.37  -0.08  -0.08
    30   1    -0.13   0.03  -0.04    -0.04   0.00  -0.00     0.38  -0.04   0.06
    31   1     0.15  -0.24   0.05     0.02  -0.02   0.00    -0.37   0.52  -0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1255.1872              1297.6577              1298.0756
 Red. masses --      1.6515                 1.4057                 1.7895
 Frc consts  --      1.5331                 1.3946                 1.7766
 IR Inten    --     79.4132               158.5150                15.9219
 RamAct Fr= 1--     44.0945                16.8290                 2.4967
  Dep-P Fr= 1--      0.2459                 0.6834                 0.1607
  Dep-U Fr= 1--      0.3947                 0.8120                 0.2769
 Alpha2 Fr= 1--      0.5286                 0.0197                 0.0376
 Beta2  Fr= 1--      2.9008                 2.2774                 0.1152
 AlphaG Fr= 1--      0.1173                -0.0218                 0.0048
 Gamma2 Fr= 1--      2.8088                -3.1372                 4.3015
 Delta2 Fr= 1--      0.7035                -2.5068                -0.1520
 Raman1 Fr= 1--     176.378                 67.316                  9.987
 ROA1   Fr= 1--     292.154               -381.392                408.079
 CID1   Fr= 1--       1.656                 -5.666                 40.861
 Raman2 Fr= 1--      34.810                 27.329                  1.383
 ROA2   Fr= 1--      61.783                -55.238                104.452
 CID2   Fr= 1--       1.775                 -2.021                 75.539
 Raman3 Fr= 1--      69.620                 54.658                  2.766
 ROA3   Fr= 1--     292.154               -381.392                408.079
 CID3   Fr= 1--       4.196                 -6.978                147.560
 RC180  Fr= 1--      -0.211                  0.624                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.09  -0.01     0.03  -0.03   0.01    -0.10  -0.11   0.03
     2   6     0.03   0.02  -0.01    -0.02  -0.01   0.00    -0.07  -0.14   0.04
     3   6     0.00  -0.04   0.01     0.00   0.01  -0.00     0.05   0.05  -0.02
     4   6     0.04   0.09  -0.02    -0.04  -0.01   0.00    -0.01   0.02  -0.00
     5   6    -0.02  -0.01   0.00     0.00  -0.01   0.00     0.03   0.00  -0.00
     6   6     0.02  -0.04   0.01    -0.00   0.02  -0.00    -0.01   0.06  -0.01
     7   6    -0.01  -0.05   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.01
     8   1     0.44  -0.21   0.03    -0.01   0.01   0.00     0.54  -0.14   0.01
     9   1    -0.18  -0.13   0.04     0.05   0.03  -0.02     0.06   0.03  -0.01
    10   1    -0.16   0.03   0.00     0.05  -0.01   0.00    -0.39   0.21  -0.03
    11   6     0.06   0.01   0.01     0.01   0.04   0.05    -0.00  -0.01  -0.01
    12   6    -0.03   0.01  -0.01     0.02  -0.05   0.00    -0.00   0.01   0.00
    13   6    -0.02   0.03  -0.00    -0.03   0.06   0.08     0.00  -0.01  -0.00
    14   1    -0.42  -0.24  -0.01    -0.03  -0.24  -0.57     0.03   0.04   0.08
    15   1     0.06   0.03  -0.05    -0.01   0.01   0.14     0.00  -0.01  -0.03
    16   1    -0.02  -0.01   0.09     0.00   0.11  -0.05    -0.00  -0.01  -0.00
    17   1     0.06  -0.02  -0.01    -0.01   0.05  -0.14     0.00   0.00   0.01
    18   8     0.01  -0.01  -0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
    19   8    -0.00  -0.01  -0.01    -0.01  -0.05  -0.07     0.00   0.01   0.01
    20   1    -0.02   0.04   0.14    -0.13   0.25   0.63     0.02  -0.03  -0.08
    21   6     0.02  -0.02   0.00     0.00   0.01  -0.00     0.05  -0.01  -0.00
    22   6     0.04   0.01  -0.01     0.02   0.01  -0.00     0.02   0.04  -0.01
    23   6     0.03  -0.03   0.01    -0.00   0.01  -0.00     0.05   0.04  -0.01
    24   8    -0.07  -0.00   0.01    -0.01  -0.00   0.00    -0.03  -0.00   0.00
    25   6     0.05   0.00  -0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
    26   1     0.18  -0.14   0.02    -0.14   0.06  -0.00    -0.38   0.19  -0.02
    27   1     0.22   0.12  -0.04    -0.07  -0.05   0.02     0.07   0.01  -0.01
    28   1    -0.37   0.14  -0.01     0.12  -0.05   0.00     0.43  -0.12  -0.00
    29   1    -0.14   0.03   0.02    -0.02   0.01   0.00    -0.05   0.01   0.01
    30   1    -0.14   0.02  -0.02    -0.02   0.01  -0.00    -0.05   0.00  -0.00
    31   1     0.12  -0.15   0.03     0.00   0.01  -0.00     0.03  -0.04   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1306.9432              1325.6110              1336.5931
 Red. masses --      2.7635                 2.2360                 1.7766
 Frc consts  --      2.7811                 2.3150                 1.8700
 IR Inten    --    267.8263                 8.6375               143.1484
 RamAct Fr= 1--     21.0639                 8.7893                 5.4839
  Dep-P Fr= 1--      0.1470                 0.2490                 0.7069
  Dep-U Fr= 1--      0.2563                 0.3987                 0.8283
 Alpha2 Fr= 1--      0.3281                 0.1045                 0.0041
 Beta2  Fr= 1--      0.8996                 0.5840                 0.7570
 AlphaG Fr= 1--     -0.0871                 0.1208                -0.0637
 Gamma2 Fr= 1--     -1.4657                 0.1068                 3.3143
 Delta2 Fr= 1--     -0.6291                 0.7879                 2.2934
 Raman1 Fr= 1--      84.256                 35.157                 21.936
 ROA1   Fr= 1--    -160.834                 35.464                391.564
 CID1   Fr= 1--      -1.909                  1.009                 17.850
 Raman2 Fr= 1--      10.795                  7.008                  9.084
 ROA2   Fr= 1--     -30.143                 -3.741                 61.196
 CID2   Fr= 1--      -2.792                 -0.534                  6.736
 Raman3 Fr= 1--      21.591                 14.017                 18.169
 ROA3   Fr= 1--    -160.834                 35.464                391.564
 CID3   Fr= 1--      -7.449                  2.530                 21.552
 RC180  Fr= 1--      -0.487                 -0.203                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.01     0.14  -0.05   0.00     0.00  -0.00  -0.00
     2   6    -0.11   0.10  -0.02     0.02  -0.01   0.00     0.00  -0.00   0.00
     3   6     0.02  -0.02   0.00    -0.05  -0.03   0.01    -0.01   0.01  -0.01
     4   6     0.01   0.01  -0.00    -0.15   0.02   0.01    -0.00  -0.01   0.02
     5   6    -0.01  -0.04   0.01    -0.00  -0.02   0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.03   0.01     0.01   0.03  -0.01    -0.00   0.00  -0.00
     7   6    -0.00  -0.09   0.02     0.03   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.29   0.10  -0.01     0.07  -0.09   0.03    -0.02   0.02   0.02
     9   1     0.26   0.16  -0.05    -0.01  -0.02   0.01     0.02   0.02   0.02
    10   1     0.34  -0.17   0.02     0.12  -0.01  -0.00     0.04  -0.01   0.00
    11   6    -0.02  -0.01  -0.01     0.21   0.05  -0.03     0.01  -0.08  -0.14
    12   6     0.00   0.01  -0.00    -0.07   0.01   0.00    -0.03   0.06   0.03
    13   6     0.01  -0.01  -0.01    -0.02   0.01  -0.04     0.01   0.04   0.15
    14   1     0.08   0.08   0.10    -0.62  -0.28   0.18    -0.07   0.23   0.71
    15   1    -0.02  -0.01  -0.02     0.19   0.09  -0.09     0.01  -0.03  -0.20
    16   1     0.00  -0.03  -0.00    -0.05   0.00   0.12    -0.02  -0.16   0.00
    17   1    -0.01  -0.01   0.04     0.17  -0.07  -0.02     0.06  -0.04   0.11
    18   8    -0.01  -0.00   0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8     0.00   0.01   0.01     0.01   0.01   0.02    -0.01  -0.04  -0.08
    20   1     0.03  -0.05  -0.11     0.04  -0.06  -0.16    -0.09   0.18   0.49
    21   6     0.04   0.02  -0.01    -0.02   0.04  -0.01     0.00   0.00  -0.00
    22   6     0.23   0.11  -0.04    -0.02   0.01  -0.00    -0.00  -0.00   0.00
    23   6     0.03  -0.04   0.01    -0.05  -0.00   0.00    -0.01   0.00  -0.00
    24   8    -0.17  -0.02   0.02     0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6     0.10  -0.02  -0.00    -0.01   0.01  -0.00    -0.00   0.00   0.00
    26   1    -0.43   0.07   0.01    -0.27   0.14  -0.02     0.02  -0.01   0.00
    27   1    -0.23  -0.18   0.06    -0.28  -0.15   0.05    -0.00  -0.00   0.00
    28   1     0.13  -0.07   0.01     0.12  -0.08   0.01     0.02  -0.01   0.00
    29   1    -0.28   0.06   0.03     0.01  -0.00   0.00     0.00   0.00  -0.00
    30   1    -0.29   0.05  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.00
    31   1     0.09  -0.04   0.00    -0.02   0.03  -0.01    -0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1386.4146              1403.8475              1410.3404
 Red. masses --      2.4101                 2.8030                 3.8580
 Frc consts  --      2.7294                 3.2548                 4.5213
 IR Inten    --     15.8258                 8.0542                 2.0159
 RamAct Fr= 1--     52.0529                38.6689               536.9816
  Dep-P Fr= 1--      0.1770                 0.1773                 0.2021
  Dep-U Fr= 1--      0.3008                 0.3013                 0.3363
 Alpha2 Fr= 1--      0.7508                 0.5573                 7.2516
 Beta2  Fr= 1--      2.6093                 1.9416                30.0940
 AlphaG Fr= 1--     -0.0825                -0.0475                -0.2601
 Gamma2 Fr= 1--     -0.5089                -0.4138                 1.3646
 Delta2 Fr= 1--     -0.9735                 1.2251                 1.1125
 Raman1 Fr= 1--     208.212                154.676               2147.927
 ROA1   Fr= 1--     -80.004                 -0.520                166.607
 CID1   Fr= 1--      -0.384                 -0.003                  0.078
 Raman2 Fr= 1--      31.311                 23.299                361.128
 ROA2   Fr= 1--      -4.425                -19.731                 23.851
 CID2   Fr= 1--      -0.141                 -0.847                  0.066
 Raman3 Fr= 1--      62.623                 46.598                722.256
 ROA3   Fr= 1--     -80.004                 -0.520                166.607
 CID3   Fr= 1--      -1.278                 -0.011                  0.231
 RC180  Fr= 1--      -0.398                 -0.397                 -0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.10  -0.03    -0.07  -0.08   0.02    -0.05  -0.23   0.06
     2   6     0.05  -0.04   0.01    -0.05   0.02  -0.00     0.11   0.25  -0.07
     3   6    -0.06  -0.07   0.02     0.16  -0.06   0.00     0.05  -0.04   0.01
     4   6    -0.02   0.10  -0.02    -0.08   0.07  -0.01    -0.04   0.17  -0.04
     5   6    -0.02   0.04  -0.01    -0.15  -0.09   0.03    -0.06  -0.03   0.01
     6   6     0.10  -0.04   0.00     0.11   0.05  -0.02     0.10  -0.09   0.02
     7   6     0.12  -0.06   0.01     0.11   0.06  -0.02    -0.07   0.03  -0.00
     8   1    -0.02  -0.09   0.02    -0.36   0.14  -0.01     0.36  -0.17   0.03
     9   1    -0.36  -0.21   0.07     0.34   0.29  -0.09    -0.23  -0.15   0.05
    10   1    -0.47   0.19  -0.02     0.02   0.10  -0.03     0.03  -0.06   0.01
    11   6    -0.04  -0.04   0.00     0.03   0.01  -0.01    -0.03  -0.04   0.01
    12   6     0.01   0.00   0.00    -0.01   0.00   0.02    -0.01  -0.00   0.06
    13   6     0.01  -0.00   0.02    -0.00   0.00   0.00     0.01  -0.00   0.01
    14   1     0.38   0.16  -0.04     0.02   0.00   0.00     0.38   0.15  -0.07
    15   1    -0.05  -0.03   0.01     0.04   0.00  -0.04     0.06  -0.09  -0.19
    16   1     0.01  -0.03  -0.02    -0.01  -0.02  -0.07    -0.03  -0.03  -0.27
    17   1    -0.02   0.01  -0.00     0.08   0.01  -0.05     0.11   0.12  -0.21
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.00   0.02    -0.00   0.00   0.00
    21   6    -0.06  -0.02   0.01    -0.12  -0.05   0.02     0.10   0.08  -0.03
    22   6    -0.08   0.18  -0.04    -0.06   0.02  -0.00     0.02  -0.10   0.02
    23   6    -0.02  -0.10   0.02     0.15  -0.06   0.00    -0.14   0.02   0.00
    24   8     0.02  -0.03   0.01     0.00   0.02  -0.00     0.02  -0.00  -0.00
    25   6     0.01   0.03  -0.01    -0.02   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.26   0.10  -0.01    -0.17   0.19  -0.03    -0.26   0.10  -0.01
    27   1    -0.30  -0.19   0.07     0.25   0.23  -0.07    -0.16  -0.11   0.04
    28   1     0.09  -0.16   0.03    -0.42   0.18  -0.02    -0.10   0.01   0.01
    29   1    -0.01  -0.02   0.04     0.10  -0.02   0.00    -0.02   0.01  -0.01
    30   1    -0.01  -0.03  -0.03     0.10  -0.03  -0.01    -0.02   0.01   0.01
    31   1     0.06  -0.08   0.02     0.07  -0.15   0.03    -0.05   0.09  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1415.3104              1456.4067              1480.1876
 Red. masses --      1.2770                 3.5667                 1.2097
 Frc consts  --      1.5071                 4.4574                 1.5616
 IR Inten    --     11.2387                 1.5386                 8.5230
 RamAct Fr= 1--     32.0394               177.5764                 5.8054
  Dep-P Fr= 1--      0.1752                 0.2534                 0.5149
  Dep-U Fr= 1--      0.2982                 0.4043                 0.6798
 Alpha2 Fr= 1--      0.4643                 2.0848                 0.0267
 Beta2  Fr= 1--      1.5924                11.9659                 0.6578
 AlphaG Fr= 1--     -0.1108                -0.4272                -0.0056
 Gamma2 Fr= 1--     -1.1068                -1.7233                -0.6124
 Delta2 Fr= 1--      0.4139                 0.8090                 0.0086
 Raman1 Fr= 1--     128.158                710.305                 23.222
 ROA1   Fr= 1--     -93.008               -139.552                -58.516
 CID1   Fr= 1--      -0.726                 -0.196                 -2.520
 Raman2 Fr= 1--      19.109                143.591                  7.893
 ROA2   Fr= 1--     -29.875                -47.832                -14.766
 CID2   Fr= 1--      -1.563                 -0.333                 -1.871
 Raman3 Fr= 1--      38.218                287.182                 15.786
 ROA3   Fr= 1--     -93.008               -139.552                -58.516
 CID3   Fr= 1--      -2.434                 -0.486                 -3.707
 RC180  Fr= 1--      -0.404                 -0.191                  0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.01    -0.16   0.01   0.01     0.02  -0.00  -0.00
     2   6     0.02   0.03  -0.01     0.18  -0.00  -0.01    -0.01  -0.01   0.00
     3   6     0.01  -0.01   0.00     0.13   0.03  -0.02     0.01  -0.02   0.00
     4   6    -0.02   0.02  -0.00     0.02  -0.17   0.04    -0.03   0.01  -0.00
     5   6    -0.02  -0.01   0.00    -0.14   0.05  -0.00    -0.00   0.01  -0.00
     6   6     0.02  -0.00  -0.00     0.13  -0.00  -0.01     0.03  -0.01  -0.00
     7   6    -0.00   0.01  -0.00    -0.11   0.00   0.01     0.01   0.03  -0.01
     8   1     0.06  -0.03  -0.00    -0.41   0.26  -0.04    -0.06   0.01   0.00
     9   1     0.01   0.01  -0.01     0.08   0.23  -0.06    -0.06  -0.03   0.01
    10   1     0.02  -0.00  -0.00    -0.20   0.15  -0.02    -0.08   0.04  -0.00
    11   6     0.01  -0.01  -0.01     0.03   0.05  -0.01     0.00  -0.00  -0.00
    12   6     0.04   0.01  -0.13    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    13   6    -0.01   0.00   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.00
    14   1     0.03   0.02   0.03    -0.33  -0.12   0.04     0.03   0.01  -0.01
    15   1    -0.24   0.13   0.44     0.08   0.04   0.00     0.02   0.03   0.04
    16   1     0.08   0.00   0.59    -0.02   0.05  -0.04    -0.00  -0.01  -0.02
    17   1    -0.29  -0.23   0.45     0.04  -0.02   0.00     0.04  -0.03   0.02
    18   8     0.01   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.01   0.01   0.03     0.01  -0.01  -0.01     0.00   0.00  -0.00
    21   6     0.01   0.01  -0.00     0.13  -0.05   0.00    -0.05  -0.03   0.01
    22   6    -0.00  -0.01   0.00    -0.04   0.16  -0.04    -0.01  -0.01   0.00
    23   6    -0.02  -0.00   0.00    -0.14  -0.03   0.02    -0.01   0.01  -0.00
    24   8     0.01  -0.00  -0.00     0.02  -0.04   0.01     0.03  -0.01   0.00
    25   6    -0.00   0.00  -0.00     0.01   0.02  -0.00     0.07  -0.07   0.01
    26   1    -0.06   0.03  -0.00     0.18  -0.13   0.02     0.10  -0.00  -0.01
    27   1    -0.03  -0.02   0.01    -0.06  -0.20   0.05     0.16   0.12  -0.04
    28   1    -0.03   0.00   0.00     0.31  -0.24   0.04     0.04  -0.01   0.00
    29   1     0.01  -0.00   0.00    -0.06  -0.02   0.05    -0.43   0.25  -0.21
    30   1     0.01  -0.00  -0.00    -0.07  -0.04  -0.03    -0.41   0.33   0.12
    31   1    -0.00   0.00  -0.00     0.01   0.03  -0.01    -0.21   0.51  -0.11
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.1896              1496.3523              1496.4379
 Red. masses --      1.0470                 1.0466                 1.0582
 Frc consts  --      1.3736                 1.3807                 1.3962
 IR Inten    --      8.9871                 8.8947                 5.7811
 RamAct Fr= 1--      5.6088                 9.8630                 3.7082
  Dep-P Fr= 1--      0.7122                 0.7490                 0.7373
  Dep-U Fr= 1--      0.8319                 0.8565                 0.8488
 Alpha2 Fr= 1--      0.0037                 0.0002                 0.0008
 Beta2  Fr= 1--      0.7777                 1.4079                 0.5246
 AlphaG Fr= 1--     -0.0084                -0.0058                 0.0251
 Gamma2 Fr= 1--      0.5155                -0.6770                 0.9620
 Delta2 Fr= 1--     -0.6398                 0.3794                 1.1664
 Raman1 Fr= 1--      22.435                 39.452                 14.833
 ROA1   Fr= 1--      29.020                -52.849                129.673
 CID1   Fr= 1--       1.294                 -1.340                  8.742
 Raman2 Fr= 1--       9.332                 16.895                  6.295
 ROA2   Fr= 1--      17.491                -19.283                 13.756
 CID2   Fr= 1--       1.874                 -1.141                  2.185
 Raman3 Fr= 1--      18.664                 33.789                 12.590
 ROA3   Fr= 1--      29.020                -52.849                129.673
 CID3   Fr= 1--       1.555                 -1.564                 10.300
 RC180  Fr= 1--       0.664                  0.713                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
     7   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02   0.01   0.01
     9   1    -0.02  -0.02   0.01    -0.00  -0.00   0.00    -0.04  -0.03   0.01
    10   1    -0.02   0.00   0.00    -0.00   0.00   0.00    -0.03   0.00   0.00
    11   6    -0.02   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.04   0.03  -0.02    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    14   1     0.03   0.01  -0.06     0.00   0.00   0.00     0.04   0.03   0.04
    15   1     0.01   0.24   0.43     0.05   0.02   0.00     0.59   0.29   0.04
    16   1    -0.02  -0.41  -0.30    -0.01   0.05  -0.02    -0.08   0.57  -0.22
    17   1     0.60  -0.32   0.12    -0.01  -0.02   0.03    -0.08  -0.22   0.33
    18   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    21   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.00   0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.00
    25   6    -0.01   0.00  -0.00    -0.00  -0.01  -0.06    -0.00   0.00   0.00
    26   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.01   0.01  -0.00
    28   1     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    29   1     0.03  -0.02   0.01    -0.47  -0.03   0.11     0.06  -0.00  -0.01
    30   1     0.03  -0.02  -0.01     0.48   0.05   0.03    -0.02  -0.01  -0.00
    31   1     0.02  -0.04   0.01     0.05   0.17   0.70     0.01  -0.04  -0.05
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.5567              1525.5232              1546.8706
 Red. masses --      1.0584                 2.3935                 3.5087
 Frc consts  --      1.4154                 3.2819                 4.9465
 IR Inten    --     49.8362                34.1874                75.4727
 RamAct Fr= 1--     16.1629               132.3621                 8.5067
  Dep-P Fr= 1--      0.4468                 0.2509                 0.2113
  Dep-U Fr= 1--      0.6177                 0.4012                 0.3489
 Alpha2 Fr= 1--      0.1003                 1.5647                 0.1121
 Beta2  Fr= 1--      1.6639                 8.8500                 0.4946
 AlphaG Fr= 1--     -0.0160                -0.2304                 0.0849
 Gamma2 Fr= 1--     -0.0556                -1.0492                -0.1716
 Delta2 Fr= 1--     -0.0026                 0.4991                -0.2655
 Raman1 Fr= 1--      64.652                529.448                 34.027
 ROA1   Fr= 1--      -5.423                -84.756                -24.969
 CID1   Fr= 1--      -0.084                 -0.160                 -0.734
 Raman2 Fr= 1--      19.967                106.200                  5.936
 ROA2   Fr= 1--      -1.315                -29.174                 -1.994
 CID2   Fr= 1--      -0.066                 -0.275                 -0.336
 Raman3 Fr= 1--      39.934                212.400                 11.872
 ROA3   Fr= 1--      -5.423                -84.756                -24.969
 CID3   Fr= 1--      -0.136                 -0.399                 -2.103
 RC180  Fr= 1--       0.235                 -0.198                 -0.302
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.08  -0.02  -0.00     0.14  -0.05   0.00
     2   6     0.00   0.00  -0.00    -0.12   0.03  -0.00     0.13  -0.07   0.01
     3   6     0.00  -0.00   0.00     0.07  -0.04   0.01    -0.05  -0.06   0.02
     4   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.02   0.17  -0.04
     5   6     0.00   0.01  -0.00     0.06   0.10  -0.03    -0.05  -0.13   0.03
     6   6     0.01  -0.01   0.00     0.11  -0.08   0.01    -0.09   0.10  -0.02
     7   6    -0.01  -0.00   0.00    -0.08   0.06  -0.01    -0.13   0.12  -0.02
     8   1    -0.02   0.01  -0.00    -0.26   0.08  -0.00     0.13  -0.14   0.03
     9   1    -0.03  -0.01   0.00    -0.37  -0.21   0.07     0.26   0.09  -0.04
    10   1    -0.03   0.01  -0.00    -0.40   0.11  -0.00     0.34  -0.07  -0.00
    11   6     0.00   0.00  -0.00     0.04   0.01  -0.01    -0.02  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.17   0.06  -0.02
    15   1    -0.02  -0.01  -0.01    -0.09  -0.06  -0.03     0.03   0.01   0.00
    16   1     0.00  -0.01   0.01     0.02  -0.03   0.09    -0.00   0.02  -0.02
    17   1    -0.01   0.01  -0.01    -0.06   0.05  -0.04    -0.00  -0.02   0.02
    18   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00   0.01  -0.00
    21   6     0.00  -0.00   0.00    -0.05  -0.06   0.02    -0.05  -0.15   0.04
    22   6     0.02   0.01  -0.00     0.14  -0.02  -0.00     0.08   0.16  -0.04
    23   6    -0.01   0.00   0.00    -0.03   0.05  -0.01    -0.10  -0.03   0.01
    24   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.01
    25   6    -0.04  -0.04   0.01    -0.02   0.02  -0.00    -0.01   0.02  -0.00
    26   1     0.01  -0.01   0.00     0.30  -0.09   0.00     0.45  -0.11  -0.00
    27   1    -0.01  -0.01   0.00     0.32   0.20  -0.07     0.38   0.15  -0.06
    28   1     0.04  -0.02   0.00     0.17  -0.02  -0.01     0.24  -0.18   0.03
    29   1     0.20   0.37  -0.48     0.12  -0.15   0.15     0.06  -0.05   0.05
    30   1     0.26   0.55   0.23     0.11  -0.21  -0.08     0.06  -0.07  -0.03
    31   1     0.14  -0.36   0.08     0.05  -0.13   0.03     0.06  -0.12   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1607.0611              1651.6738              1675.6847
 Red. masses --      6.7904                 5.6376                 6.2950
 Frc consts  --     10.3326                 9.0614                10.4143
 IR Inten    --      4.9758                84.6562                86.1766
 RamAct Fr= 1--     88.1517                10.9761               307.2991
  Dep-P Fr= 1--      0.5726                 0.7153                 0.3732
  Dep-U Fr= 1--      0.7282                 0.8340                 0.5435
 Alpha2 Fr= 1--      0.2947                 0.0066                 2.4987
 Beta2  Fr= 1--     10.6989                 1.5257                27.8370
 AlphaG Fr= 1--      0.1619                -0.0095                -0.2675
 Gamma2 Fr= 1--     -1.0423                 0.0127                 0.5468
 Delta2 Fr= 1--      0.9389                -1.1968                 0.3000
 Raman1 Fr= 1--     352.607                 43.905               1229.196
 ROA1   Fr= 1--     -70.013                -37.078                 62.092
 CID1   Fr= 1--      -0.199                 -0.845                  0.051
 Raman2 Fr= 1--     128.387                 18.308                334.044
 ROA2   Fr= 1--     -32.526                  9.879                 10.723
 CID2   Fr= 1--      -0.253                  0.540                  0.032
 Raman3 Fr= 1--     256.773                 36.616                668.088
 ROA3   Fr= 1--     -70.013                -37.078                 62.092
 CID3   Fr= 1--      -0.273                 -1.013                  0.093
 RC180  Fr= 1--       0.456                  0.668                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.27  -0.07    -0.05  -0.02   0.01    -0.25   0.09  -0.01
     2   6    -0.09  -0.26   0.07     0.00   0.00  -0.00     0.24  -0.08   0.00
     3   6     0.10  -0.17   0.03     0.22  -0.12   0.02     0.20  -0.09   0.01
     4   6    -0.04   0.22  -0.05    -0.20   0.10  -0.01    -0.12   0.07  -0.01
     5   6    -0.17  -0.14   0.05     0.24   0.06  -0.03     0.15   0.03  -0.02
     6   6     0.13   0.08  -0.03    -0.24   0.02   0.01    -0.21   0.05   0.00
     7   6    -0.15  -0.09   0.03    -0.19   0.02   0.01     0.25  -0.07   0.00
     8   1    -0.34   0.01   0.02    -0.35   0.09   0.00    -0.32   0.11  -0.01
     9   1     0.18   0.13  -0.04    -0.21  -0.30   0.09    -0.09  -0.16   0.04
    10   1    -0.12   0.19  -0.04     0.18  -0.17   0.03     0.24  -0.14   0.02
    11   6    -0.00  -0.02   0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6     0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1     0.17   0.06  -0.02     0.11   0.03  -0.01     0.07   0.02  -0.01
    15   1     0.01  -0.00  -0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00   0.02   0.00     0.01  -0.00   0.03     0.00   0.01   0.01
    17   1    -0.02   0.00   0.00    -0.02   0.00   0.00    -0.01  -0.00   0.01
    18   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00   0.00  -0.02     0.01  -0.00  -0.02
    21   6     0.21   0.16  -0.05     0.20   0.02  -0.02    -0.18  -0.01   0.01
    22   6     0.00  -0.24   0.06    -0.19   0.13  -0.02     0.15  -0.11   0.02
    23   6    -0.05   0.16  -0.04     0.19  -0.13   0.02    -0.23   0.11  -0.01
    24   8     0.01   0.02  -0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.01  -0.01   0.00     0.02  -0.00   0.00    -0.02   0.01  -0.00
    26   1     0.09  -0.20   0.04     0.15  -0.13   0.02    -0.30   0.16  -0.02
    27   1    -0.27  -0.18   0.06    -0.17  -0.25   0.07     0.09   0.20  -0.05
    28   1     0.23   0.05  -0.03    -0.28   0.06   0.00     0.31  -0.11   0.01
    29   1     0.01   0.00  -0.02    -0.06   0.05  -0.04     0.05  -0.04   0.04
    30   1     0.01   0.01   0.01    -0.05   0.06   0.02     0.05  -0.05  -0.02
    31   1    -0.03   0.03  -0.01     0.01   0.03  -0.01    -0.01  -0.02   0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.6012              3011.2051              3013.1942
 Red. masses --     10.4357                 1.0347                 1.0813
 Frc consts  --     20.7172                 5.5275                 5.7843
 IR Inten    --    403.0044                66.4052                 9.6799
 RamAct Fr= 1--     29.8716               228.7039                92.0418
  Dep-P Fr= 1--      0.3425                 0.0389                 0.1448
  Dep-U Fr= 1--      0.5103                 0.0749                 0.2530
 Alpha2 Fr= 1--      0.2686                 4.6382                 1.4417
 Beta2  Fr= 1--      2.5406                 2.8547                 3.8806
 AlphaG Fr= 1--     -0.9962                 0.0438                -0.3806
 Gamma2 Fr= 1--     -4.3060                -0.0828                -3.0076
 Delta2 Fr= 1--      0.5131                 0.2199                -2.6899
 Raman1 Fr= 1--     119.486                914.816                368.167
 ROA1   Fr= 1--    -396.957                 -0.913               -374.806
 CID1   Fr= 1--      -3.322                 -0.001                 -1.018
 Raman2 Fr= 1--      30.487                 34.257                 46.567
 ROA2   Fr= 1--    -107.449                 -3.747                -50.664
 CID2   Fr= 1--      -3.524                 -0.109                 -1.088
 Raman3 Fr= 1--      60.973                 68.513                 93.135
 ROA3   Fr= 1--    -396.957                 -0.913               -374.806
 CID3   Fr= 1--      -6.510                 -0.013                 -4.024
 RC180  Fr= 1--       0.021                 -0.850                 -0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03  -0.03  -0.00    -0.00   0.00  -0.00     0.04  -0.07   0.03
    12   6     0.01   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
    13   6     0.59   0.42  -0.17     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.02  -0.04     0.01  -0.03   0.01    -0.42   0.83  -0.34
    15   1     0.01   0.03   0.03    -0.00   0.00  -0.00     0.04  -0.08   0.03
    16   1     0.02   0.05   0.03     0.00  -0.00   0.00     0.01   0.00   0.00
    17   1    -0.06  -0.03   0.10     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
    18   8    -0.37  -0.26   0.12    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.04  -0.02     0.00   0.00  -0.00     0.00   0.00  -0.00
    20   1    -0.07   0.16   0.41    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    24   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    25   6    -0.00   0.00  -0.00    -0.01   0.05  -0.01    -0.00   0.00  -0.00
    26   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.01   0.02  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.11  -0.49  -0.45    -0.00  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00    -0.04  -0.23   0.63    -0.00  -0.01   0.02
    31   1    -0.00   0.00   0.00     0.27   0.12  -0.05     0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.3384              3068.4082              3114.0082
 Red. masses --      1.0348                 1.1060                 1.1027
 Frc consts  --      5.6729                 6.1353                 6.3002
 IR Inten    --     16.5044                34.2676                15.7118
 RamAct Fr= 1--    172.0359                71.5566                33.5485
  Dep-P Fr= 1--      0.0276                 0.7500                 0.6560
  Dep-U Fr= 1--      0.0538                 0.8571                 0.7923
 Alpha2 Fr= 1--      3.5830                 0.0000                 0.0564
 Beta2  Fr= 1--      1.5429                10.2223                 4.4300
 AlphaG Fr= 1--     -0.5697                 0.0110                 0.0217
 Gamma2 Fr= 1--      0.7767                 0.2772                -5.3118
 Delta2 Fr= 1--      3.7321                 0.5302                -1.9206
 Raman1 Fr= 1--     688.144                286.226                134.194
 ROA1   Fr= 1--     193.992                 43.576               -571.397
 CID1   Fr= 1--       0.282                  0.152                 -4.258
 Raman2 Fr= 1--      18.515                122.668                 53.160
 ROA2   Fr= 1--     -11.215                  2.410               -112.119
 CID2   Fr= 1--      -0.606                  0.020                 -2.109
 Raman3 Fr= 1--      37.030                245.336                106.321
 ROA3   Fr= 1--     193.992                 43.576               -571.397
 CID3   Fr= 1--       5.239                  0.178                 -5.374
 RC180  Fr= 1--      -0.892                  0.714                  0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00  -0.00  -0.00    -0.01  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.00   0.05     0.00   0.00  -0.00     0.01  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.02   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.07  -0.03
    15   1    -0.25   0.52  -0.23     0.00  -0.00   0.00    -0.30   0.59  -0.28
    16   1     0.47   0.03  -0.03    -0.00  -0.00   0.00    -0.03  -0.02   0.00
    17   1    -0.20  -0.50  -0.32     0.00   0.00   0.00     0.23   0.54   0.36
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    24   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    25   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.09     0.00   0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.00   0.00   0.00     0.13   0.52   0.45     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.06  -0.25   0.65    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02    -0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3132.7215              3137.5546              3155.9987
 Red. masses --      1.1021                 1.0990                 1.0898
 Frc consts  --      6.3725                 6.3745                 6.3954
 IR Inten    --     17.8231                22.9914                 6.2709
 RamAct Fr= 1--    168.8390               180.7637                42.0741
  Dep-P Fr= 1--      0.4850                 0.4277                 0.2905
  Dep-U Fr= 1--      0.6532                 0.5991                 0.4502
 Alpha2 Fr= 1--      0.8928                 1.2093                 0.4439
 Beta2  Fr= 1--     18.3803                18.0494                 3.1569
 AlphaG Fr= 1--      0.6621                -0.0488                -0.2301
 Gamma2 Fr= 1--      5.9609                 0.0101                 0.7628
 Delta2 Fr= 1--     -0.3253                -0.1602                 1.1273
 Raman1 Fr= 1--     675.356                723.055                168.296
 ROA1   Fr= 1--     561.840                 -4.159                109.300
 CID1   Fr= 1--       0.832                 -0.006                  0.649
 Raman2 Fr= 1--     220.563                216.592                 37.883
 ROA2   Fr= 1--     145.664                  1.524                  9.287
 CID2   Fr= 1--       0.660                  0.007                  0.245
 Raman3 Fr= 1--     441.127                433.185                 75.767
 ROA3   Fr= 1--     561.840                 -4.159                109.300
 CID3   Fr= 1--       1.274                 -0.010                  1.443
 RC180  Fr= 1--       0.306                  0.198                 -0.100
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.03  -0.08   0.02
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.36   0.89  -0.24
     9   1    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.02   0.02  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09  -0.01  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.10  -0.25   0.11    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88   0.06  -0.07    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    17   1     0.10   0.29   0.18    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.08  -0.05   0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.04  -0.08   0.02
    27   1     0.00  -0.00   0.00     0.02  -0.02   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   1     0.00   0.00   0.00     0.02   0.13   0.14     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00     0.00   0.05  -0.18     0.00   0.00  -0.00
    31   1     0.01   0.00  -0.00     0.87   0.38  -0.15    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3162.7325              3174.0610              3181.3778
 Red. masses --      1.0866                 1.0892                 1.0944
 Frc consts  --      6.4037                 6.4650                 6.5261
 IR Inten    --      5.1240                 7.3930                12.8746
 RamAct Fr= 1--     79.2826                65.0487               127.2305
  Dep-P Fr= 1--      0.5983                 0.4264                 0.1974
  Dep-U Fr= 1--      0.7487                 0.5978                 0.3297
 Alpha2 Fr= 1--      0.2230                 0.4373                 1.7397
 Beta2  Fr= 1--      9.8926                 6.4814                 6.9918
 AlphaG Fr= 1--      0.1297                 0.0026                 0.1718
 Gamma2 Fr= 1--      1.7516                 0.2785                 0.0846
 Delta2 Fr= 1--      0.5906                 0.1607                -0.3442
 Raman1 Fr= 1--     317.130                260.195                508.922
 ROA1   Fr= 1--     187.048                 31.879                 -2.894
 CID1   Fr= 1--       0.590                  0.123                 -0.006
 Raman2 Fr= 1--     118.711                 77.777                 83.901
 ROA2   Fr= 1--      37.313                  5.399                  4.783
 CID2   Fr= 1--       0.314                  0.069                  0.057
 Raman3 Fr= 1--     237.422                155.553                167.802
 ROA3   Fr= 1--     187.048                 31.879                 -2.894
 CID3   Fr= 1--       0.788                  0.205                 -0.017
 RC180  Fr= 1--       0.497                  0.196                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.04  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.04   0.01
     6   6     0.02   0.04  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.02
     7   6     0.00   0.00  -0.00    -0.03  -0.08   0.02    -0.00  -0.00   0.00
     8   1    -0.00  -0.01   0.00     0.04   0.08  -0.02    -0.01  -0.03   0.01
     9   1    -0.51   0.65  -0.13    -0.00   0.01  -0.00    -0.33   0.41  -0.08
    10   1    -0.20  -0.49   0.13     0.00   0.01  -0.00     0.30   0.73  -0.20
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.01     0.00   0.00  -0.00    -0.00   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
    24   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    26   1    -0.00  -0.00   0.00     0.36   0.87  -0.23     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.11  -0.15   0.03    -0.00   0.00  -0.00
    28   1     0.01   0.03  -0.01     0.02   0.05  -0.01    -0.08  -0.18   0.05
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3188.4167              3216.8358              3716.2858
 Red. masses --      1.0904                 1.0912                 1.0650
 Frc consts  --      6.5312                 6.6528                 8.6661
 IR Inten    --      6.2467                 6.3038               131.3129
 RamAct Fr= 1--    157.3207               129.0393               171.4167
  Dep-P Fr= 1--      0.2435                 0.2377                 0.2215
  Dep-U Fr= 1--      0.3917                 0.3841                 0.3627
 Alpha2 Fr= 1--      1.8985                 1.5825                 2.1973
 Beta2  Fr= 1--     10.2700                 8.2613                10.3626
 AlphaG Fr= 1--      0.0087                -0.0235                -2.9914
 Gamma2 Fr= 1--     -0.0720                -0.3040               -35.1052
 Delta2 Fr= 1--     -0.1622                 0.2428                 2.4498
 Raman1 Fr= 1--     629.283                516.157                685.667
 ROA1   Fr= 1--     -12.098                -21.411              -3291.710
 CID1   Fr= 1--      -0.019                 -0.041                 -4.801
 Raman2 Fr= 1--     123.240                 99.135                124.351
 ROA2   Fr= 1--      -0.430                 -9.238               -862.124
 CID2   Fr= 1--      -0.003                 -0.093                 -6.933
 Raman3 Fr= 1--     246.481                198.270                248.702
 ROA3   Fr= 1--     -12.098                -21.411              -3291.710
 CID3   Fr= 1--      -0.049                 -0.108                -13.236
 RC180  Fr= 1--      -0.217                 -0.232                 -0.275
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.01  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.01  -0.02   0.00    -0.00   0.00  -0.00
     8   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.05   0.06  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   1     0.07   0.17  -0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.05  -0.03   0.01
    20   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.84   0.54  -0.09
    21   6     0.00   0.00  -0.00     0.05  -0.07   0.01     0.00   0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    23   6    -0.03  -0.08   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.02  -0.05   0.01     0.07   0.17  -0.04    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.59   0.76  -0.15     0.00  -0.00   0.00
    28   1     0.38   0.87  -0.23     0.00   0.01  -0.00     0.00   0.00  -0.00
    29   1    -0.00   0.00   0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    30   1    -0.00   0.00  -0.00     0.00   0.01  -0.02    -0.00  -0.00   0.00
    31   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1382.138778633.188329145.70260
           X            0.99986  -0.01492  -0.00738
           Y            0.01467   0.99936  -0.03277
           Z            0.00787   0.03265   0.99944
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06267     0.01003     0.00947
 Rotational constants (GHZ):           1.30576     0.20905     0.19733
 Zero-point vibrational energy     657434.9 (Joules/Mol)
                                  157.13071 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     31.25    48.57    62.41   109.73   163.21
          (Kelvin)            199.80   265.42   292.02   316.06   334.56
                              363.80   401.31   445.17   546.65   583.61
                              595.53   600.05   695.88   696.48   745.44
                              769.68   808.83   839.14   863.96   906.96
                              992.85  1003.39  1061.31  1118.56  1127.49
                             1180.22  1188.12  1204.31  1232.64  1289.89
                             1327.76  1347.80  1372.54  1391.91  1409.80
                             1480.64  1538.72  1569.12  1581.18  1678.75
                             1686.99  1691.64  1699.80  1711.18  1727.27
                             1733.98  1805.93  1867.04  1867.64  1880.40
                             1907.26  1923.06  1994.74  2019.82  2029.17
                             2036.32  2095.44  2129.66  2146.93  2152.92
                             2153.04  2167.60  2194.89  2225.60  2312.20
                             2376.39  2410.94  2641.02  4332.45  4335.31
                             4388.76  4414.76  4480.36  4507.29  4514.24
                             4540.78  4550.47  4566.77  4577.29  4587.42
                             4628.31  5346.91
 
 Zero-point correction=                           0.250404 (Hartree/Particle)
 Thermal correction to Energy=                    0.265717
 Thermal correction to Enthalpy=                  0.266662
 Thermal correction to Gibbs Free Energy=         0.206220
 Sum of electronic and zero-point Energies=           -767.719664
 Sum of electronic and thermal Energies=              -767.704351
 Sum of electronic and thermal Enthalpies=            -767.703406
 Sum of electronic and thermal Free Energies=         -767.763848
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.740             58.780            127.210
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.056
 Vibrational            164.963             52.818             51.952
 Vibration     1          0.593              1.985              6.470
 Vibration     2          0.594              1.983              5.595
 Vibration     3          0.595              1.980              5.098
 Vibration     4          0.599              1.965              3.985
 Vibration     5          0.607              1.938              3.209
 Vibration     6          0.614              1.914              2.819
 Vibration     7          0.631              1.861              2.283
 Vibration     8          0.639              1.836              2.106
 Vibration     9          0.647              1.811              1.962
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.664              1.758              1.711
 Vibration    12          0.679              1.713              1.540
 Vibration    13          0.699              1.656              1.365
 Vibration    14          0.750              1.513              1.039
 Vibration    15          0.771              1.458              0.942
 Vibration    16          0.778              1.440              0.913
 Vibration    17          0.780              1.433              0.902
 Vibration    18          0.840              1.286              0.700
 Vibration    19          0.840              1.285              0.699
 Vibration    20          0.873              1.210              0.614
 Vibration    21          0.890              1.173              0.576
 Vibration    22          0.918              1.113              0.520
 Vibration    23          0.940              1.068              0.479
 Vibration    24          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.139773D-94        -94.854577       -218.410734
 Total V=0       0.210398D+21         20.323042         46.795534
 Vib (Bot)       0.272455-109       -109.564705       -252.282056
 Vib (Bot)    1  0.953540D+01          0.979339          2.255011
 Vib (Bot)    2  0.613220D+01          0.787616          1.813553
 Vib (Bot)    3  0.476832D+01          0.678365          1.561994
 Vib (Bot)    4  0.270192D+01          0.431673          0.993963
 Vib (Bot)    5  0.180417D+01          0.256277          0.590100
 Vib (Bot)    6  0.146471D+01          0.165753          0.381661
 Vib (Bot)    7  0.108707D+01          0.036258          0.083488
 Vib (Bot)    8  0.981278D+00         -0.008208         -0.018900
 Vib (Bot)    9  0.900564D+00         -0.045485         -0.104734
 Vib (Bot)   10  0.846091D+00         -0.072583         -0.167129
 Vib (Bot)   11  0.770830D+00         -0.113041         -0.260287
 Vib (Bot)   12  0.689694D+00         -0.161344         -0.371508
 Vib (Bot)   13  0.611344D+00         -0.213714         -0.492095
 Vib (Bot)   14  0.475896D+00         -0.322488         -0.742557
 Vib (Bot)   15  0.437592D+00         -0.358931         -0.826469
 Vib (Bot)   16  0.426178D+00         -0.370409         -0.852899
 Vib (Bot)   17  0.421965D+00         -0.374724         -0.862833
 Vib (Bot)   18  0.344703D+00         -0.462555         -1.065072
 Vib (Bot)   19  0.344285D+00         -0.463082         -1.066286
 Vib (Bot)   20  0.312088D+00         -0.505723         -1.164470
 Vib (Bot)   21  0.297577D+00         -0.526401         -1.212084
 Vib (Bot)   22  0.275889D+00         -0.559265         -1.287755
 Vib (Bot)   23  0.260427D+00         -0.584314         -1.345434
 Vib (Bot)   24  0.248541D+00         -0.604601         -1.392146
 Vib (V=0)       0.410123D+06          5.612914         12.924212
 Vib (V=0)    1  0.100485D+02          1.002101          2.307423
 Vib (V=0)    2  0.665255D+01          0.822988          1.895000
 Vib (V=0)    3  0.529446D+01          0.723822          1.666661
 Vib (V=0)    4  0.324780D+01          0.511589          1.177977
 Vib (V=0)    5  0.237217D+01          0.375146          0.863806
 Vib (V=0)    6  0.204770D+01          0.311267          0.716719
 Vib (V=0)    7  0.169655D+01          0.229566          0.528595
 Vib (V=0)    8  0.160132D+01          0.204478          0.470828
 Vib (V=0)    9  0.153006D+01          0.184707          0.425304
 Vib (V=0)   10  0.148279D+01          0.171079          0.393923
 Vib (V=0)   11  0.141879D+01          0.151919          0.349806
 Vib (V=0)   12  0.135187D+01          0.130934          0.301487
 Vib (V=0)   13  0.128977D+01          0.110513          0.254466
 Vib (V=0)   14  0.119027D+01          0.075647          0.174183
 Vib (V=0)   15  0.116444D+01          0.066119          0.152244
 Vib (V=0)   16  0.115698D+01          0.063327          0.145816
 Vib (V=0)   17  0.115426D+01          0.062303          0.143458
 Vib (V=0)   18  0.110731D+01          0.044267          0.101930
 Vib (V=0)   19  0.110707D+01          0.044174          0.101715
 Vib (V=0)   20  0.108941D+01          0.037190          0.085632
 Vib (V=0)   21  0.108185D+01          0.034168          0.078674
 Vib (V=0)   22  0.107106D+01          0.029816          0.068653
 Vib (V=0)   23  0.106376D+01          0.026842          0.061807
 Vib (V=0)   24  0.105837D+01          0.024636          0.056726
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.373952D+07          6.572816         15.134467
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655544444444333322222111110000999998888877766665555444443322222111    
     1            1887653316511                             3750420999851108320995008877699628653295322873993086318811080753208317432
     6            7814368348031                             6627767662065046767885519163791990747377760478700032584474609933034936342
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX XXX         X X XX  X X    X      X           X  X                   
     X                        X                             XXX X           X X XX  X X    X                                         
     X                                                      XXX X           X X XX    X                                              
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
     X                                                      X               X X X                                                    
                                                            X                 X X                                                    
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                 X                                                      
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001794   -0.000000985    0.000000243
      2        6           0.000002109   -0.000001420    0.000000115
      3        6          -0.000002264   -0.000001078    0.000000118
      4        6           0.000000100    0.000001040    0.000001378
      5        6           0.000001357    0.000000498   -0.000000323
      6        6          -0.000001937    0.000000896   -0.000000518
      7        6          -0.000002351    0.000000313    0.000000201
      8        1           0.000000290    0.000000696    0.000000174
      9        1           0.000000226   -0.000000047   -0.000000068
     10        1           0.000000516   -0.000000305   -0.000000097
     11        6           0.000002790    0.000001082   -0.000002405
     12        6           0.000002238    0.000000670    0.000001504
     13        6          -0.000010757   -0.000003045    0.000009697
     14        1           0.000000020    0.000000448   -0.000000071
     15        1          -0.000000449   -0.000000003   -0.000000083
     16        1          -0.000000169    0.000000520    0.000000081
     17        1          -0.000000550    0.000000615    0.000000133
     18        8           0.000006505    0.000003850   -0.000003189
     19        8           0.000001760   -0.000001745   -0.000007030
     20        1           0.000000842    0.000000284    0.000000411
     21        6          -0.000000446    0.000002132   -0.000000821
     22        6           0.000006738   -0.000003367    0.000000763
     23        6          -0.000003416    0.000002209    0.000000172
     24        8          -0.000006440    0.000003526   -0.000002390
     25        6           0.000002905   -0.000006946    0.000002879
     26        1           0.000000250   -0.000000069    0.000000080
     27        1          -0.000000246   -0.000000864    0.000000319
     28        1           0.000000355   -0.000000411   -0.000000191
     29        1          -0.000000298    0.000000484   -0.000000222
     30        1          -0.000000509    0.000000478   -0.000000815
     31        1          -0.000000964    0.000000546   -0.000000044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010757 RMS     0.000002558
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299444D+03 -0.175850D+02 -0.792047D+01
      2  -0.175850D+02  0.177867D+03 -0.112483D+02
      3  -0.792047D+01 -0.112483D+02  0.123609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.604115D+01  0.204277D+02 -0.318301D+01
      2  -0.841131D+00 -0.160564D+02 -0.255355D+02
      3   0.132392D+03 -0.576516D+02  0.198920D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.371863D+03 -0.188643D+03  0.180691D+02
      2  -0.183974D+03  0.148263D+03 -0.506759D+02
      3  -0.187890D+03  0.403797D+02  0.326068D+02
      4  -0.112660D+03  0.104502D+03 -0.444783D+02
      5   0.802100D+02 -0.540328D+02 -0.506694D+02
      6  -0.182067D+02  0.155631D+02 -0.328298D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404997D+02  0.125461D+02 -0.897147D+00 -0.388892D+02  0.797310D+01
      2   0.125461D+02 -0.783962D+01  0.110639D+01  0.797310D+01 -0.590954D+01
      3  -0.897147D+00  0.110639D+01 -0.333486D-01  0.810125D-01  0.807411D+00
                 6             7             8             9            10 
      1   0.810125D-01  0.123632D+02 -0.311492D+01 -0.105650D+01  0.382034D+02
      2   0.807411D+00 -0.311492D+01  0.158609D+01 -0.108240D+01 -0.126617D+02
      3   0.789580D-01 -0.105650D+01 -0.108240D+01  0.677863D+00  0.838718D+00
                11            12            13            14            15 
      1  -0.126617D+02  0.838718D+00  0.419902D+02 -0.896110D+01  0.285345D-01
      2   0.410639D+01 -0.226904D+00 -0.896110D+01  0.816253D+01 -0.128403D+01
      3  -0.226904D+00 -0.127701D+00  0.285345D-01 -0.128403D+01 -0.845754D-01
                16            17            18            19            20 
      1  -0.126040D+02  0.324114D+01  0.799340D+00  0.409959D+02 -0.123376D+02
      2   0.324114D+01 -0.180357D+01  0.120518D+01 -0.123376D+02  0.113329D+02
      3   0.799340D+00  0.120518D+01 -0.475138D+00  0.102229D+01 -0.215766D+01
                21            22            23            24            25 
      1   0.102229D+01 -0.215518D+02  0.390958D+01 -0.389256D+00  0.358769D+01
      2  -0.215766D+01  0.390958D+01 -0.813590D+01  0.477266D+00 -0.744009D+00
      3   0.494661D+00 -0.389256D+00  0.477266D+00 -0.166992D+01 -0.495124D+00
                26            27            28            29            30 
      1  -0.744009D+00 -0.495124D+00 -0.470878D+02  0.668695D+01  0.268626D+00
      2  -0.304343D+00 -0.310916D+01  0.668695D+01 -0.471514D+01  0.118142D+00
      3  -0.310916D+01  0.214478D+01  0.268626D+00  0.118142D+00 -0.209544D+01
                31            32            33            34            35 
      1   0.863524D+01 -0.285896D+01 -0.113382D+01 -0.493827D+01 -0.832213D+00
      2  -0.285896D+01  0.172794D+02 -0.382084D+01 -0.832213D+00 -0.308620D+01
      3  -0.113382D+01 -0.382084D+01  0.723697D+00 -0.647821D+01  0.176926D+01
                36            37            38            39            40 
      1  -0.647821D+01 -0.386743D+01 -0.225147D+01  0.597353D+00  0.104170D+02
      2   0.176926D+01 -0.225147D+01 -0.145488D+02  0.320315D+01 -0.220712D+01
      3   0.885140D-01  0.597353D+00  0.320315D+01 -0.314015D+01 -0.857087D+00
                41            42            43            44            45 
      1  -0.220712D+01 -0.857087D+00 -0.264125D+01 -0.628753D+00 -0.524693D+01
      2  -0.656825D+01  0.278908D+01 -0.628753D+00  0.381940D+01  0.202802D+01
      3   0.278908D+01  0.794824D+00 -0.524693D+01  0.202802D+01 -0.816319D+00
                46            47            48            49            50 
      1   0.104315D+02  0.165247D+01 -0.725041D+00  0.313789D+00 -0.336578D+01
      2   0.165247D+01  0.102780D+02 -0.173894D+01 -0.336578D+01  0.133790D+01
      3  -0.725041D+00 -0.173894D+01  0.246705D+01  0.117274D+01  0.143347D+01
                51            52            53            54            55 
      1   0.117274D+01 -0.331005D+00  0.114566D+01  0.926645D+00 -0.607587D+01
      2   0.143347D+01  0.114566D+01  0.130651D+01  0.409655D+01 -0.284035D+01
      3   0.995114D+00  0.926645D+00  0.409655D+01 -0.271683D+01  0.889011D+00
                56            57            58            59            60 
      1  -0.284035D+01  0.889011D+00 -0.726686D+00  0.370495D+01 -0.121625D+01
      2  -0.566694D+01  0.743338D+00  0.370495D+01 -0.334307D+01 -0.761758D+00
      3   0.743338D+00 -0.251182D+01 -0.121625D+01 -0.761758D+00 -0.932169D+00
                61            62            63            64            65 
      1   0.313142D+00 -0.121423D+01 -0.542033D+00 -0.170858D+01 -0.220828D+01
      2  -0.121423D+01 -0.768995D+00 -0.375603D+01 -0.220828D+01 -0.112762D+01
      3  -0.542033D+00 -0.375603D+01  0.256499D+01  0.587446D+00  0.310318D+00
                66            67            68            69            70 
      1   0.587446D+00 -0.287345D+01 -0.271781D+01  0.805920D+00  0.829580D+00
      2   0.310318D+00 -0.271781D+01 -0.525127D+01  0.128912D+01  0.798062D+00
      3  -0.381941D+00  0.805920D+00  0.128912D+01 -0.106408D+01 -0.335899D+00
                71            72            73            74            75 
      1   0.798062D+00 -0.335899D+00 -0.551947D+01  0.348603D+01 -0.467136D+00
      2   0.127518D+01 -0.428748D+00  0.348603D+01 -0.356297D+01  0.579208D+00
      3  -0.428748D+00  0.359199D+00 -0.467136D+00  0.579208D+00 -0.442596D+00
                76            77            78            79            80 
      1   0.391459D+01 -0.462685D+01  0.987058D+00 -0.551405D+00  0.103740D+01
      2  -0.462685D+01  0.646790D+01 -0.102618D+01  0.103740D+01 -0.121598D+01
      3   0.987058D+00 -0.102618D+01  0.839174D+00  0.327631D+00  0.394594D+00
                81            82            83            84            85 
      1   0.327631D+00  0.126925D+01  0.184146D+01 -0.509167D+00  0.769489D+00
      2   0.394594D+00  0.184146D+01  0.280524D+01 -0.733953D+00  0.192769D+01
      3  -0.310394D+00 -0.509167D+00 -0.733953D+00  0.432938D+00 -0.462458D+00
                86            87            88            89            90 
      1   0.192769D+01 -0.462458D+00 -0.280494D+00 -0.518922D+00  0.118144D+00
      2   0.962775D+01 -0.224942D+01 -0.518922D+00 -0.252295D+01  0.564702D+00
      3  -0.224942D+01  0.135969D+01  0.118144D+00  0.564702D+00 -0.350615D+00
                91            92            93            94            95 
      1   0.138745D+02 -0.191428D+01  0.263856D+00  0.450461D+01  0.122975D+01
      2  -0.191428D+01  0.157091D+01  0.782119D+00  0.122975D+01 -0.233068D+01
      3   0.263856D+00  0.782119D+00  0.278858D+01  0.638598D+00  0.234730D+01
                96            97            98            99           100 
      1   0.638598D+00 -0.373735D+01  0.150280D+01  0.772216D+01  0.870835D+01
      2   0.234730D+01  0.150280D+01  0.189058D+01 -0.147068D+00  0.304042D+00
      3   0.104327D+01  0.772216D+01 -0.147068D+00 -0.223566D+01 -0.191135D+01
               101           102           103           104           105 
      1   0.304042D+00 -0.191135D+01 -0.409639D+00 -0.196238D+01 -0.212516D+00
      2  -0.182859D+01 -0.356416D+00 -0.196238D+01  0.206058D-02 -0.366050D+01
      3  -0.356416D+00 -0.223777D+01 -0.212516D+00 -0.366050D+01 -0.853009D+00
               106           107           108           109           110 
      1   0.585344D+01 -0.779295D+00 -0.524868D+01  0.524085D+01  0.370221D+01
      2  -0.779295D+00 -0.251655D+01 -0.168428D+00  0.370221D+01  0.146968D+01
      3  -0.524868D+01 -0.168428D+00  0.333870D+01 -0.164798D+01 -0.651747D+00
               111           112           113           114           115 
      1  -0.164798D+01  0.749013D+00  0.162373D+01 -0.134157D+01 -0.692564D+01
      2  -0.651747D+00  0.162373D+01  0.561194D+00 -0.121026D+01 -0.189454D+01
      3  -0.114242D+01 -0.134157D+01 -0.121026D+01 -0.523432D+00 -0.336984D+01
               116           117           118           119           120 
      1  -0.189454D+01 -0.336984D+01 -0.140044D+01  0.228712D+01 -0.891627D+00
      2  -0.188448D+01 -0.691027D-01  0.228712D+01 -0.193975D+01  0.113001D+00
      3  -0.691027D-01  0.349803D+00 -0.891627D+00  0.113001D+00 -0.128929D+01
               121           122           123           124           125 
      1   0.452784D+01 -0.217483D+01  0.246542D+00 -0.154350D+01  0.175591D+00
      2  -0.217483D+01  0.499587D+01 -0.119627D+01  0.175591D+00 -0.150122D+01
      3   0.246542D+00 -0.119627D+01  0.139870D+01 -0.157106D+01  0.108574D+01
               126           127           128           129           130 
      1  -0.157106D+01  0.457404D+00 -0.624909D+00  0.231533D+00 -0.196590D+01
      2   0.108574D+01 -0.624909D+00  0.955576D+00 -0.440548D+00  0.245161D+00
      3  -0.642345D+00  0.231533D+00 -0.440548D+00  0.159231D+01  0.374932D+00
               131           132           133           134           135 
      1   0.245161D+00  0.374932D+00  0.436730D+00 -0.338142D-01  0.336853D+00
      2  -0.325356D+01  0.213973D+01 -0.338142D-01  0.167254D+01 -0.126773D+01
      3   0.213973D+01 -0.274021D+01  0.336853D+00 -0.126773D+01  0.213142D+01
               136           137           138           139           140 
      1  -0.151260D+02  0.165220D+00  0.381968D+01 -0.684375D+00 -0.104866D+01
      2   0.165220D+00 -0.812973D+00 -0.232523D+00 -0.104866D+01 -0.102822D+00
      3   0.381968D+01 -0.232523D+00 -0.249739D+01  0.441519D-01  0.625844D+00
               141           142           143           144           145 
      1   0.441519D-01  0.150860D+01  0.145681D+00 -0.127643D+01 -0.297735D+00
      2   0.625844D+00  0.145681D+00  0.114211D+00 -0.589803D-01  0.759601D+00
      3  -0.175999D+00 -0.127643D+01 -0.589803D-01  0.408321D+00  0.622719D+00
               146           147           148           149           150 
      1   0.759601D+00  0.622719D+00  0.147034D+01  0.793800D-01 -0.421835D+00
      2   0.100370D+01  0.691093D+00  0.793800D-01  0.384656D+01  0.301953D+01
      3   0.691093D+00  0.152976D+01 -0.421835D+00  0.301953D+01  0.357778D+01
               151           152           153           154           155 
      1   0.254116D+00 -0.494769D-01  0.108216D+00 -0.155109D+02 -0.511595D+01
      2  -0.494769D-01  0.220826D+01  0.223971D+01 -0.511595D+01 -0.294230D+01
      3   0.108216D+00  0.223971D+01  0.361470D+01  0.107720D+01 -0.137692D+00
               156           157           158           159           160 
      1   0.107720D+01 -0.785288D+01 -0.582919D+01  0.711318D+00  0.171873D+01
      2  -0.137692D+00 -0.582919D+01 -0.498644D+01  0.677091D+00  0.783137D+00
      3  -0.220970D+01  0.711318D+00  0.677091D+00 -0.127989D+01 -0.225060D+01
               161           162           163           164           165 
      1   0.783137D+00 -0.225060D+01 -0.970425D+01 -0.331559D+01 -0.264180D+01
      2   0.135263D+01 -0.125355D+01 -0.331559D+01 -0.517152D+00 -0.211286D-01
      3  -0.125355D+01  0.181175D+01 -0.264180D+01 -0.211286D-01 -0.889158D+00
               166           167           168           169           170 
      1  -0.656360D+01 -0.135804D+01 -0.959806D+00  0.683873D+00  0.283481D+00
      2  -0.135804D+01 -0.124769D+01 -0.178739D+01  0.283481D+00 -0.365486D+00
      3  -0.959806D+00 -0.178739D+01 -0.222290D+01 -0.747702D+00 -0.145518D+01
               171           172           173           174           175 
      1  -0.747702D+00  0.906686D+01  0.284244D+01  0.924887D+00  0.783717D+01
      2  -0.145518D+01  0.284244D+01  0.966559D+00  0.510906D+00  0.157950D+01
      3  -0.670850D+01  0.924887D+00  0.510906D+00  0.240233D+01  0.130002D+01
               176           177           178           179           180 
      1   0.157950D+01  0.130002D+01  0.418333D+01  0.759870D+00  0.185779D+01
      2   0.610593D+00 -0.360692D+00  0.759870D+00 -0.979147D+00  0.682811D+00
      3  -0.360692D+00  0.157228D+01  0.185779D+01  0.682811D+00 -0.136440D+01
               181           182           183           184           185 
      1   0.499968D+01  0.218510D+01 -0.476784D+00 -0.140759D+02  0.463081D+01
      2   0.218510D+01  0.103724D+02 -0.229709D+01  0.463081D+01  0.310662D+01
      3  -0.476784D+00 -0.229709D+01  0.306964D+01  0.544569D+00 -0.220588D+01
               186           187           188           189           190 
      1   0.544569D+00  0.361793D+01 -0.515109D+00  0.400351D+01  0.374908D+02
      2  -0.220588D+01 -0.515109D+00 -0.289146D+01 -0.225832D+01 -0.864917D+01
      3  -0.108586D+01  0.400351D+01 -0.225832D+01  0.107191D+01  0.609810D+00
               191           192           193           194           195 
      1  -0.864917D+01  0.609810D+00 -0.477600D+01  0.274848D+01  0.136183D+01
      2   0.993845D+01 -0.105912D+01  0.274848D+01 -0.143005D+02  0.297976D+01
      3  -0.105912D+01  0.400238D+01  0.136183D+01  0.297976D+01 -0.849056D+00
               196           197           198           199           200 
      1  -0.322647D+00  0.150166D+01  0.672867D+01 -0.358431D+02  0.131878D+02
      2   0.150166D+01  0.212331D+01 -0.213975D+01  0.131878D+02 -0.946855D+01
      3   0.672867D+01 -0.213975D+01 -0.198011D+00 -0.105299D+01  0.181829D+01
               201           202           203           204           205 
      1  -0.105299D+01  0.197583D+02 -0.606265D+01  0.622122D+00 -0.237824D+01
      2   0.181829D+01 -0.606265D+01  0.857228D+01 -0.302865D-02  0.111337D+01
      3  -0.520696D+00  0.622122D+00 -0.302865D-02  0.210815D+01  0.531790D+00
               206           207           208           209           210 
      1   0.111337D+01  0.531790D+00 -0.954185D+01  0.525177D+01 -0.801769D+00
      2   0.763156D+00  0.427420D+01  0.525177D+01 -0.446735D+01  0.728293D+00
      3   0.427420D+01 -0.281292D+01 -0.801769D+00  0.728293D+00 -0.447260D+00
               211           212           213           214           215 
      1  -0.211031D+00  0.277616D+01 -0.725569D+00  0.673519D+00 -0.963422D+00
      2   0.277616D+01  0.106094D+01 -0.508596D+00 -0.963422D+00  0.366961D+00
      3  -0.725569D+00 -0.508596D+00 -0.891186D+00  0.262852D+00  0.698476D+00
               216           217           218           219           220 
      1   0.262852D+00 -0.550914D+00 -0.473836D+01  0.109679D+01 -0.523644D+01
      2   0.698476D+00 -0.473836D+01  0.219237D+01  0.119454D+00 -0.103641D+01
      3  -0.779976D-01  0.109679D+01  0.119454D+00  0.831915D-01  0.482406D+00
               221           222           223           224           225 
      1  -0.103641D+01  0.482406D+00  0.102297D+01  0.442850D+00 -0.220113D+01
      2   0.219811D+01  0.211979D+01  0.442850D+00  0.158817D+01  0.397511D+01
      3   0.211979D+01  0.521023D+01 -0.220113D+01  0.397511D+01 -0.331649D+01
               226           227           228           229           230 
      1  -0.847406D+00 -0.162164D+01  0.447747D+00 -0.482639D+00 -0.134516D+01
      2  -0.162164D+01 -0.241935D+01  0.648992D+00 -0.134516D+01 -0.838034D+01
      3   0.447747D+00  0.648992D+00 -0.391054D+00  0.342699D+00  0.195192D+01
               231           232           233           234           235 
      1   0.342699D+00  0.189895D+00  0.454228D+00  0.150886D-01  0.636156D+01
      2   0.195192D+01  0.454228D+00  0.211991D+01 -0.517994D+00 -0.306156D+01
      3  -0.125916D+01  0.150886D-01 -0.517994D+00  0.335985D+00  0.343459D+00
               236           237           238           239           240 
      1  -0.306156D+01  0.343459D+00 -0.424286D+01  0.445591D+01 -0.969675D+00
      2   0.269892D+01 -0.430597D+00  0.445591D+01 -0.554001D+01  0.937028D+00
      3  -0.430597D+00  0.256745D+00 -0.969675D+00  0.937028D+00 -0.698590D+00
               241           242           243           244           245 
      1   0.548566D+00 -0.979647D+00 -0.315904D+00  0.198056D+01  0.284298D+01
      2  -0.979647D+00  0.114212D+01 -0.183497D+00  0.284298D+01  0.219733D+01
      3  -0.315904D+00 -0.183497D+00  0.210712D+00 -0.779338D+00 -0.615951D+00
               246           247           248           249           250 
      1  -0.779338D+00  0.341909D+01  0.354679D+01 -0.972754D+00 -0.929721D+00
      2  -0.615951D+00  0.354679D+01  0.694218D+01 -0.171076D+01 -0.981792D+00
      3   0.587128D+00 -0.972754D+00 -0.171076D+01  0.125891D+01  0.464769D+00
               251           252           253           254           255 
      1  -0.981792D+00  0.464769D+00 -0.423009D+00 -0.575025D-01 -0.799506D+00
      2  -0.178880D+01  0.418462D+00 -0.575025D-01 -0.573129D+00 -0.418422D-01
      3   0.418462D+00 -0.347672D+00 -0.799506D+00 -0.418422D-01 -0.509608D+00
               256           257           258           259           260 
      1  -0.228444D+01  0.243572D+01  0.125498D+01 -0.335053D+01  0.166049D+01
      2   0.243572D+01 -0.488908D+01 -0.277956D+01  0.166049D+01 -0.301757D+01
      3   0.125498D+01 -0.277956D+01 -0.277385D+01  0.192179D+01 -0.283520D+01
               261           262           263           264           265 
      1   0.192179D+01  0.223853D+00  0.163314D+00  0.108578D+01 -0.585092D+00
      2  -0.283520D+01  0.163314D+00 -0.394088D+00 -0.265385D+00  0.124225D+01
      3  -0.297410D+01  0.108578D+01 -0.265385D+00 -0.409596D-01 -0.104979D+01
               266           267           268           269           270 
      1   0.124225D+01 -0.104979D+01  0.475717D+01 -0.169932D+01  0.334426D+01
      2  -0.165738D+01  0.133934D+01 -0.169932D+01  0.177756D+01 -0.253096D+01
      3   0.133934D+01 -0.220701D+01  0.334426D+01 -0.253096D+01  0.647991D+01
               271           272           273           274           275 
      1   0.147002D+02  0.149377D+01 -0.112528D+01  0.510528D+01  0.144595D+01
      2   0.149377D+01  0.935902D+00 -0.652036D-01  0.144595D+01  0.112466D+01
      3  -0.112528D+01 -0.652036D-01  0.120159D+01 -0.287034D+00 -0.368517D+00
               276           277           278           279 
      1  -0.287034D+00 -0.200843D+01 -0.959619D-01  0.166653D+01
      2  -0.368517D+00 -0.959619D-01 -0.459827D+00 -0.170721D+00
      3   0.350117D+00  0.166653D+01 -0.170721D+00 -0.241168D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243696D+01  0.248167D+01 -0.657109D+00  0.214088D+01 -0.888312D+00
      2   0.236184D+01  0.942115D+01 -0.157176D+01  0.662310D+01 -0.763530D+01
      3  -0.153787D+02  0.444699D+02 -0.102886D+02  0.193888D+02 -0.302794D+02
                 6             7             8             9            10 
      1  -0.109888D+00 -0.498836D+01  0.836021D+01 -0.182703D+01 -0.210654D+00
      2   0.196300D+01 -0.203706D+02  0.389586D+01  0.509054D-01 -0.261080D+00
      3   0.630927D+01  0.147999D+01  0.338925D+01 -0.658641D+00  0.334839D+02
                11            12            13            14            15 
      1   0.353042D+01 -0.129993D+01 -0.105100D+00  0.928820D+00  0.890344D+00
      2   0.103706D+02 -0.713981D+01  0.508658D+01 -0.644758D+01  0.105091D+01
      3   0.384590D+02 -0.103004D+02  0.704357D+02 -0.346425D+02  0.444917D+01
                16            17            18            19            20 
      1  -0.520010D+01  0.717762D+01 -0.166905D+01 -0.345186D+01 -0.609150D+00
      2  -0.221339D+02  0.345889D+01  0.613570D+00 -0.511633D+01 -0.777132D+01
      3  -0.138458D+02  0.486711D+01 -0.593169D+00  0.140303D+02 -0.403490D+02
                21            22            23            24            25 
      1   0.185034D+00 -0.797949D+00 -0.190801D+00 -0.128649D+01 -0.590054D+01
      2   0.124901D+01 -0.241966D+01  0.295100D+01  0.929567D+00 -0.183142D+02
      3   0.948860D+01 -0.947223D+01  0.609412D+01 -0.235681D+01  0.783742D+01
                26            27            28            29            30 
      1   0.317879D+01 -0.108756D+01 -0.469862D+00  0.147623D+01  0.776038D+00
      2   0.781306D+01 -0.196584D+01 -0.596850D+00  0.294385D+01  0.796618D+00
      3  -0.238495D+01 -0.144251D+01 -0.369623D+02  0.128815D+02 -0.170972D+01
                31            32            33            34            35 
      1   0.505507D+01  0.519973D+01  0.175636D+00  0.443672D+01  0.129736D+02
      2   0.318581D+01 -0.158027D+01  0.112356D+00 -0.132799D+02  0.130653D+01
      3   0.327132D+02 -0.108032D+02 -0.224090D+00 -0.481258D+01 -0.122942D+01
                36            37            38            39            40 
      1  -0.269181D+01 -0.185348D+00  0.917357D+00  0.748883D+01  0.283562D+01
      2   0.458357D+00 -0.461432D+01  0.154984D+01  0.173781D+01 -0.232822D+01
      3  -0.374299D+01 -0.185316D+02  0.541731D+01 -0.166659D+01  0.939306D+01
                41            42            43            44            45 
      1  -0.493818D+00 -0.184444D+01  0.177077D+02  0.431027D+01 -0.172083D+01
      2  -0.298817D+01 -0.135081D+01 -0.755122D+01 -0.749921D+01  0.207743D+01
      3  -0.123524D+01 -0.107580D+01 -0.275689D+01 -0.127450D+00 -0.700512D+01
                46            47            48            49            50 
      1   0.355439D+00 -0.313706D+01 -0.629280D+01 -0.284757D+01 -0.410155D+00
      2   0.677976D+01 -0.794236D+01  0.168015D+01 -0.610307D+01  0.740414D+01
      3   0.369763D+02 -0.330294D+02  0.686523D+01 -0.749260D+01  0.272535D+02
                51            52            53            54            55 
      1  -0.342952D+01 -0.898397D+01 -0.501322D+01  0.413924D+01  0.639346D+00
      2  -0.146032D+01 -0.155375D+02 -0.275160D+00  0.215627D+01  0.731266D+01
      3  -0.464822D+01  0.444026D+01 -0.341259D+01  0.577608D+01  0.348140D+02
                56            57            58            59            60 
      1  -0.449051D+01 -0.480831D+01 -0.148800D+01  0.569748D+00 -0.236510D+01
      2  -0.937759D+01 -0.440923D+01 -0.679336D+01  0.677850D+01 -0.251690D+01
      3  -0.336183D+02  0.881659D+01 -0.583714D+01  0.348896D+02 -0.502460D+01
                61            62            63            64            65 
      1  -0.763790D+01 -0.249320D+01  0.212777D+01 -0.311551D+00 -0.554044D+00
      2  -0.211578D+02 -0.309933D+01  0.582281D+01  0.829081D+00  0.648858D+00
      3   0.603314D+01 -0.318411D+01  0.110065D+02  0.696660D+00 -0.376234D+00
                66            67            68            69            70 
      1  -0.127921D+01 -0.827551D+00 -0.160319D+01 -0.284171D+01 -0.882320D+00
      2   0.367208D+00  0.105673D+01 -0.513290D+00  0.178603D+01 -0.230488D+01
      3   0.140236D+00  0.315470D+01 -0.564902D+01  0.132254D+01 -0.878456D-01
                71            72            73            74            75 
      1   0.247285D+01  0.342411D+00 -0.342376D+00  0.305555D+00  0.236204D+01
      2  -0.823065D+00  0.251353D-01 -0.152435D+01  0.107982D+00  0.182950D+01
      3   0.136846D+01  0.382229D+00 -0.993731D+01  0.150589D+01 -0.201477D+00
                76            77            78            79            80 
      1  -0.127761D+01  0.379347D+00 -0.365252D+01 -0.304800D+01  0.123208D+01
      2  -0.441476D+00  0.365287D+00 -0.248774D+01 -0.219586D+01 -0.989472D-01
      3   0.410038D+01  0.744910D+00  0.734082D+00  0.427062D+00 -0.174473D+00
                81            82            83            84            85 
      1   0.685651D+00  0.643611D+00  0.388426D+00 -0.177096D+01  0.627348D+00
      2   0.836718D+00  0.121877D+01  0.662992D+00  0.656749D+00  0.960264D+00
      3   0.123085D+01  0.598044D+01  0.288472D+01 -0.123609D+01  0.520384D+01
                86            87            88            89            90 
      1   0.128817D+01 -0.517085D+01  0.114984D+01  0.235953D+01  0.589305D+00
      2   0.111418D+01  0.953952D+00 -0.121543D+01  0.482249D+00 -0.683266D+00
      3   0.370018D+01 -0.146608D+01 -0.127238D+01 -0.163549D+01 -0.464570D+00
                91            92            93            94            95 
      1   0.271150D+01  0.918037D+00 -0.163283D+01  0.584914D+01  0.403910D+00
      2  -0.445873D+01 -0.188290D+01 -0.652570D+01 -0.187250D+01 -0.104915D+02
      3   0.119571D+02  0.127129D+01  0.195879D+01  0.228418D+02 -0.140977D+02
                96            97            98            99           100 
      1  -0.228707D+01 -0.190714D+01  0.526309D+01  0.115752D+01  0.359082D+01
      2  -0.180265D+01 -0.337542D+02  0.851735D+00  0.633391D+01 -0.105362D+02
      3   0.102284D+02 -0.103455D+01  0.133281D+02  0.734389D+01  0.527780D+01
               101           102           103           104           105 
      1  -0.665587D+01  0.959224D+00 -0.266711D+01  0.559635D+00 -0.120561D+02
      2  -0.914044D+00  0.170298D+02 -0.278408D+01  0.195174D+02  0.329365D+01
      3  -0.146485D+02 -0.159689D+00 -0.878792D+01  0.176259D+01 -0.162920D+02
               106           107           108           109           110 
      1   0.318927D+01 -0.646621D+01 -0.378136D+01 -0.371526D+01  0.216979D+01
      2   0.184284D+02 -0.186761D+00 -0.741571D+01  0.107352D+02  0.624263D+01
      3   0.709797D+01 -0.152863D+02 -0.526122D+01 -0.758249D+01  0.635556D+01
               111           112           113           114           115 
      1   0.979221D+01 -0.882245D+01 -0.752649D+01 -0.532397D+01  0.921808D+01
      2   0.469938D+01  0.721808D+01  0.518091D+01 -0.920591D+01  0.562457D+01
      3  -0.836641D+01  0.634370D+01  0.176707D+02 -0.427127D+01 -0.151787D+02
               116           117           118           119           120 
      1   0.182096D+01  0.553242D+01  0.135119D+01 -0.942438D+00  0.112697D+01
      2  -0.268460D+01  0.317449D+01  0.398344D+01 -0.141258D+01  0.567009D+01
      3  -0.959848D+01 -0.379804D+01  0.917813D+01 -0.717489D+01  0.138147D+00
               121           122           123           124           125 
      1  -0.115907D+01  0.170832D+01 -0.282504D+01  0.983659D+00 -0.169345D+00
      2  -0.164332D+01  0.535487D+01 -0.545548D+01  0.343998D+01 -0.385862D+01
      3  -0.797606D+00  0.179934D+02 -0.470664D+01 -0.105091D+01 -0.623854D+01
               126           127           128           129           130 
      1   0.752207D+00 -0.259226D+01  0.334497D+01 -0.864622D+00  0.145835D+01
      2   0.259808D+01 -0.419816D+01  0.383449D+01 -0.606133D+01  0.370832D+01
      3   0.264906D+01 -0.496737D+01  0.458902D+01 -0.218940D+01  0.381482D+01
               131           132           133           134           135 
      1  -0.902033D+01  0.347498D+01 -0.383369D+00  0.535139D+01 -0.287741D+01
      2  -0.101722D+02  0.100259D+02 -0.300676D+01  0.507986D+01 -0.876472D+01
      3  -0.135508D+02  0.901443D+01 -0.240194D+00  0.615392D+01 -0.531618D+01
               136           137           138           139           140 
      1  -0.254884D+01 -0.274993D+01  0.708772D+00 -0.232161D+01 -0.108337D+01
      2   0.980725D+01  0.802657D+00  0.776917D+01  0.858227D+00 -0.686717D+00
      3  -0.730688D+01 -0.645328D+01  0.111359D+01 -0.388146D+01 -0.129243D+01
               141           142           143           144           145 
      1   0.386852D+00  0.890273D-01  0.145505D+01 -0.395243D+00  0.165515D+01
      2   0.112972D+01  0.102669D+01  0.102346D+01  0.538482D+00 -0.391720D+01
      3   0.223245D+01 -0.206221D+00  0.278888D+01 -0.139087D+01  0.312526D+01
               146           147           148           149           150 
      1   0.308688D+01  0.155342D+00  0.172629D+01  0.787916D+01  0.265756D+01
      2  -0.398792D+01 -0.645835D+01 -0.242561D+01 -0.126036D+02 -0.130244D+02
      3   0.447965D+01  0.251741D+01  0.365298D+01  0.142332D+02  0.106157D+02
               151           152           153           154           155 
      1  -0.365677D+00  0.533760D+01  0.260078D+01  0.386265D+01  0.334584D-01
      2  -0.354107D+01 -0.880691D+01 -0.136248D+02 -0.113434D+02 -0.220868D+01
      3  -0.332395D+00  0.811442D+01  0.821471D+01 -0.748695D+01 -0.197620D+02
               156           157           158           159           160 
      1  -0.685088D+01  0.615359D+01  0.471302D+01 -0.503609D+01 -0.408409D+01
      2   0.175669D+02 -0.235017D+01 -0.556539D+01  0.119418D+02  0.589204D+01
      3   0.206186D+00 -0.175973D+02 -0.268805D+02  0.199188D+01  0.404955D+01
               161           162           163           164           165 
      1   0.776348D+00  0.255402D+01  0.551926D+01  0.282999D+01 -0.327022D+01
      2   0.438200D+01 -0.105450D+02 -0.105019D+02 -0.599422D+01  0.213231D+01
      3   0.642876D+01 -0.304039D+01 -0.811297D+01 -0.419290D+01  0.184787D+01
               166           167           168           169           170 
      1   0.831616D+01  0.543301D+01  0.528687D+00 -0.177302D+01  0.609109D+01
      2  -0.100818D+02  0.431716D+01  0.891022D+01 -0.185484D+01  0.486287D+01
      3  -0.124277D+01 -0.624996D+01 -0.947582D+01  0.471935D+01 -0.239381D+01
               171           172           173           174           175 
      1  -0.441734D+01 -0.815179D+01 -0.375053D+01  0.119289D+01 -0.984172D+01
      2   0.216299D+02  0.194057D+02  0.459588D+01 -0.670535D+01  0.998711D+01
      3  -0.500182D+01  0.219282D+01  0.291600D+01  0.247422D+01  0.943294D+01
               176           177           178           179           180 
      1  -0.413321D+01 -0.108919D+01  0.307093D+00  0.309289D+00 -0.140407D+01
      2   0.423117D+01 -0.469313D+01 -0.302361D+01 -0.116212D+01  0.601134D+01
      3   0.177815D+01  0.108408D+01  0.267987D+01  0.118028D+01  0.625047D+00
               181           182           183           184           185 
      1   0.347002D+00  0.373827D+01  0.569607D+01  0.255663D+01  0.693970D+00
      2  -0.571433D+01  0.166572D+01  0.776923D+01 -0.386852D+01 -0.638884D+01
      3  -0.213297D+02  0.380731D+01 -0.193096D+01 -0.197370D+02 -0.776330D+01
               186           187           188           189           190 
      1  -0.247360D+01  0.113692D+02  0.450280D+01 -0.229421D+01 -0.129271D+01
      2  -0.266519D+01 -0.415394D+01 -0.988715D+01  0.280852D+01 -0.338493D+01
      3   0.435208D+01  0.678572D+01  0.434610D+01 -0.954316D+00  0.110833D+02
               191           192           193           194           195 
      1   0.286271D+01 -0.296471D+01  0.247221D+01  0.161063D+01  0.299972D+01
      2   0.575970D+01  0.835899D+00  0.105311D+02 -0.143308D+01 -0.914862D+00
      3   0.158742D+02 -0.453878D+01  0.378728D+02 -0.577950D+01  0.132214D+00
               196           197           198           199           200 
      1  -0.641351D+00  0.144733D+02 -0.420778D+01 -0.548266D+00 -0.310259D+01
      2   0.436670D+00  0.151829D+01 -0.521336D+00 -0.355503D+01 -0.683464D+01
      3  -0.103655D+02 -0.332013D-01  0.492156D+01 -0.364011D+02 -0.277419D+02
               201           202           203           204           205 
      1   0.104279D+01 -0.256018D+01  0.172200D+01 -0.375916D+01 -0.774651D+01
      2   0.479563D+01 -0.424942D+01  0.870526D+01  0.270213D+01 -0.146018D+02
      3   0.761446D+01  0.105544D+02  0.829790D+01 -0.596001D+01  0.356130D+01
               206           207           208           209           210 
      1   0.278650D+01  0.760730D+00  0.118644D+01 -0.249405D+01  0.368132D+01
      2   0.166491D+02 -0.701507D+01  0.162572D+01 -0.713666D+01  0.141119D+02
      3  -0.709848D+01 -0.756072D+01 -0.244961D+01 -0.397225D+02  0.631360D+01
               211           212           213           214           215 
      1   0.305044D+00 -0.188821D+01 -0.480897D+01  0.114299D+01 -0.145764D+01
      2  -0.244139D+01 -0.278760D+01 -0.559215D+01 -0.554957D+01  0.338762D+01
      3  -0.252407D+01 -0.580462D+01  0.263234D+01  0.211838D+01  0.274598D+01
               216           217           218           219           220 
      1   0.126994D+01  0.718324D+00  0.102811D+01 -0.922245D+00 -0.996661D+00
      2  -0.454404D+00  0.796013D+01  0.343232D+01 -0.118700D+01  0.425505D+01
      3  -0.391892D+01  0.370667D+02  0.279419D+01 -0.491458D+01  0.180547D+02
               221           222           223           224           225 
      1   0.261183D+01  0.670475D+01 -0.110139D+02  0.885439D+01 -0.437986D+01
      2   0.939643D+01  0.334302D+02 -0.166971D+02  0.256419D+02 -0.212646D+02
      3  -0.294243D+02 -0.108768D+02 -0.479730D+01 -0.813382D+01 -0.256550D+02
               226           227           228           229           230 
      1   0.138389D+00 -0.262214D+00 -0.143868D+01  0.175015D-01 -0.778435D+00
      2   0.206179D+01  0.173098D+01 -0.137589D+00  0.146272D+01  0.428939D+01
      3   0.775387D+01  0.544235D+01 -0.186696D+01  0.583913D+01  0.164029D+02
               231           232           233           234           235 
      1  -0.402799D+01  0.711614D+00  0.299043D+01  0.269715D+00 -0.942125D+00
      2  -0.122671D+01 -0.644910D+00 -0.985974D+00  0.384258D-01 -0.248098D+01
      3  -0.429287D+01 -0.195862D+01 -0.449853D+01  0.475231D+00 -0.565379D+01
               236           237           238           239           240 
      1   0.639106D+00  0.140375D+01 -0.314077D+00 -0.576068D+00 -0.281681D+01
      2  -0.142150D+00  0.134422D+01 -0.141252D+01  0.169849D+01 -0.302235D+01
      3  -0.380138D+01  0.929701D+00 -0.496555D+01  0.126551D+02 -0.167973D+01
               241           242           243           244           245 
      1  -0.255623D+01  0.144648D+01  0.488035D+00  0.114153D+00 -0.131089D+00
      2  -0.249409D+01 -0.117865D+00  0.106357D+01 -0.131647D+01 -0.100942D+01
      3   0.243614D+01 -0.266974D+01  0.127843D+01 -0.398130D+01 -0.397025D+01
               246           247           248           249           250 
      1  -0.148448D+01  0.200993D+00 -0.325787D+00 -0.355509D+01 -0.925388D-01
      2   0.221472D+01 -0.139767D+01 -0.402610D+01  0.426529D+01 -0.168708D+01
      3   0.880695D+00 -0.225300D+01 -0.168999D+02  0.382493D+01  0.120989D+01
               251           252           253           254           255 
      1   0.194815D+01  0.529449D+00  0.153308D+00 -0.196155D+00 -0.114398D+01
      2   0.530870D+00 -0.780385D+00 -0.568615D+01 -0.413435D+00 -0.216618D+01
      3   0.439465D+01 -0.340633D+00  0.214794D+01  0.261428D+01  0.134264D+01
               256           257           258           259           260 
      1   0.126860D+01 -0.162368D+01 -0.495868D+01  0.250120D+01 -0.116080D+01
      2   0.465955D+01 -0.139283D+02 -0.161812D+02  0.761002D+01 -0.160204D+02
      3  -0.107493D+02  0.326616D+02  0.153247D+02 -0.575296D+01  0.185701D+02
               261           262           263           264           265 
      1  -0.441491D+01  0.347695D+00 -0.262967D+00 -0.456375D+00 -0.800463D+00
      2  -0.159823D+02  0.754877D+01 -0.166315D+01  0.188351D+00 -0.531029D+01
      3   0.163912D+02 -0.175203D+00  0.851661D+00  0.643362D+00 -0.641447D+01
               266           267           268           269           270 
      1   0.956574D+00 -0.326903D+01  0.397338D+01  0.217671D-01  0.772437D+01
      2   0.800559D+01 -0.134127D+02  0.146463D+02 -0.156706D+02  0.382085D+02
      3   0.132970D+02 -0.832408D+01  0.654663D+01 -0.128014D+02  0.155892D+02
               271           272           273           274           275 
      1  -0.100833D+01 -0.412402D+00  0.566053D+00 -0.195342D+00 -0.490575D+00
      2  -0.638473D+01 -0.704074D+00  0.972529D+01 -0.166960D+01 -0.206179D+01
      3  -0.207150D+02 -0.107107D+02  0.170516D+01 -0.113184D+02 -0.787446D+01
               276           277           278           279 
      1  -0.638918D+00  0.163294D+01  0.204330D+00  0.180669D-01
      2   0.251776D+01  0.823939D+01 -0.915297D+00 -0.146762D+01
      3   0.246508D+01  0.227017D+01  0.322487D+01  0.261045D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899907D+02  0.543915D+02 -0.917192D+01 -0.809284D+02 -0.384889D+00
      2   0.496049D+02 -0.352510D+02  0.619427D+01  0.458243D+02  0.246069D+01
      3   0.403857D+02 -0.191405D+02  0.297765D+01  0.351041D+02 -0.207580D+01
      4   0.564743D+02 -0.593659D+01 -0.142005D+01 -0.700696D+01 -0.316385D+01
      5  -0.187705D+02  0.576801D+00  0.112957D+01 -0.269491D+01  0.307819D+01
      6   0.909726D+00  0.191691D+01  0.852914D+00  0.229037D+01 -0.272645D+01
                 6             7             8             9            10 
      1   0.218638D+01  0.251827D+02 -0.582248D+01 -0.103190D+02  0.993251D+02
      2  -0.367665D+01 -0.125249D+02  0.286020D+01 -0.992791D+00 -0.470007D+02
      3   0.149027D+01 -0.126578D+02  0.296228D+01  0.113118D+02 -0.523244D+02
      4   0.170268D+01 -0.175444D+01  0.131679D+01  0.100444D+01 -0.228898D+02
      5   0.296807D+00  0.232330D+01 -0.185137D+01  0.398988D+00  0.867182D+01
      6   0.708612D+00  0.161366D+01  0.360640D+01  0.187705D+01 -0.671810D+01
                11            12            13            14            15 
      1  -0.110100D+02 -0.459545D+01  0.827004D+02 -0.331534D+02  0.137906D+01
      2   0.592123D+01  0.172291D+01 -0.403797D+02  0.276935D+02 -0.555482D+01
      3   0.508876D+01  0.287254D+01 -0.423207D+02  0.545997D+01  0.417576D+01
      4   0.497978D+01 -0.198735D+01 -0.174402D+02  0.135561D+02 -0.184065D+01
      5  -0.698330D+01 -0.798364D+01  0.857003D+01 -0.262224D+01  0.731130D-01
      6   0.232445D+01  0.123679D+01 -0.227781D+01 -0.341523D+01 -0.867876D+00
                16            17            18            19            20 
      1  -0.269688D+02  0.698763D+01 -0.853047D+01  0.565903D+02 -0.599005D+02
      2   0.141038D+02 -0.544246D+01  0.184571D+00 -0.328921D+02  0.446843D+02
      3   0.128651D+02 -0.154518D+01  0.834590D+01 -0.236983D+02  0.152162D+02
      4   0.646098D+01 -0.220050D+01  0.337969D+01 -0.523944D+02  0.418035D+01
      5  -0.259523D+01  0.371083D+01  0.458335D+00  0.205601D+02 -0.874675D+00
      6   0.440003D+01  0.554211D+01  0.159377D+01 -0.116510D+01 -0.231755D+01
                21            22            23            24            25 
      1   0.111028D+02  0.570046D+01  0.340180D+02 -0.803698D+01 -0.446212D+01
      2  -0.825462D+01 -0.143691D+02 -0.346366D+02  0.912372D+01  0.639579D+01
      3  -0.284815D+01  0.866864D+01  0.618551D+00 -0.108674D+01 -0.193367D+01
      4   0.504680D+00  0.234150D+02 -0.534986D+01  0.398429D+01 -0.362236D+01
      5  -0.439581D+01 -0.103643D+02  0.594651D+01  0.635317D+01  0.416574D+01
      6   0.156853D+01  0.860964D+01  0.892065D+01  0.126819D+01  0.143233D+01
                26            27            28            29            30 
      1  -0.390543D+01 -0.606480D+01  0.106684D+01  0.661475D+01  0.124433D+01
      2   0.818620D+01 -0.819293D+01 -0.149517D+02 -0.893559D+01  0.262847D-02
      3  -0.428077D+01  0.142577D+02  0.138848D+02  0.232083D+01 -0.124696D+01
      4   0.612373D+01  0.260402D+01  0.178652D+02  0.116790D+02 -0.558170D-01
      5   0.931133D+01 -0.294874D+01 -0.185826D+02  0.284675D+01  0.958089D+01
      6   0.391139D+01  0.765355D+00  0.102964D+02 -0.953055D-01 -0.293730D+01
                31            32            33            34            35 
      1   0.241377D+02 -0.743321D+02  0.142177D+02 -0.560403D+01  0.166283D+02
      2  -0.176431D+02  0.704941D+02 -0.181968D+02  0.173781D+01 -0.171240D+02
      3  -0.649456D+01  0.383801D+01  0.397907D+01  0.386622D+01  0.495700D+00
      4  -0.414696D+02  0.266228D+01  0.276988D+01  0.212513D+02  0.127578D+01
      5   0.163637D+02  0.161761D+01 -0.141372D+01  0.317494D+02 -0.579061D+01
      6   0.217660D+01 -0.105912D+02  0.904921D-01 -0.562547D+01  0.747833D+01
                36            37            38            39            40 
      1  -0.261070D+01 -0.772057D+01  0.765096D+02 -0.181699D+02 -0.197793D+02
      2  -0.455144D+01  0.134628D+01 -0.645862D+02  0.981455D+01  0.211495D+02
      3   0.716214D+01  0.637429D+01 -0.119234D+02  0.835538D+01 -0.137024D+01
      4   0.252658D+01  0.289134D+01 -0.193335D+02  0.348288D+01  0.132995D+02
      5  -0.151627D+00  0.280670D+00 -0.743752D+00  0.541094D+01  0.566717D+01
      6   0.509995D+01 -0.349295D+01  0.686037D+01 -0.154907D+02 -0.139371D+02
                41            42            43            44            45 
      1   0.357822D+02 -0.122619D+02  0.708756D+01 -0.176566D+02 -0.104623D+02
      2  -0.369739D+02  0.109972D+02 -0.139718D+02  0.201162D+02  0.100612D+01
      3   0.119165D+01  0.126475D+01  0.688426D+01 -0.245961D+01  0.945618D+01
      4   0.779755D+01 -0.778359D+01  0.277121D+01 -0.592056D+01 -0.937544D+01
      5  -0.880526D+01 -0.516189D+01  0.208057D+02 -0.659347D+01  0.471548D+01
      6   0.116475D+02  0.253795D+01 -0.198407D+02  0.127738D+02  0.684810D+00
                46            47            48            49            50 
      1   0.106448D+02 -0.554156D+02  0.106633D+02  0.176335D+02 -0.235678D+01
      2  -0.810281D+01  0.485797D+02 -0.458896D+01 -0.154464D+02 -0.363529D+01
      3  -0.254198D+01  0.683595D+01 -0.607437D+01 -0.218713D+01  0.599207D+01
      4   0.911416D+01 -0.563849D+01  0.191628D+01  0.446118D+00 -0.969354D+01
      5  -0.114761D+01  0.608098D+01 -0.287960D+01  0.695571D+00  0.233573D+01
      6   0.461432D+01 -0.210147D+01  0.118556D+02  0.382536D+01  0.140106D+02
                51            52            53            54            55 
      1  -0.712399D+01 -0.556525D+01 -0.312800D+01 -0.241919D+02  0.111824D+01
      2   0.973938D+01  0.730035D+01  0.138648D+02  0.101457D+02 -0.313251D+01
      3  -0.261539D+01 -0.173510D+01 -0.107368D+02  0.140461D+02  0.201427D+01
      4   0.511095D+01  0.186574D+01  0.689418D+01  0.590783D+01 -0.390936D+02
      5   0.444174D+00  0.500329D+01  0.612147D+00 -0.663332D-02  0.742392D+01
      6   0.511313D+01  0.408447D+01  0.232833D+02 -0.868356D+01  0.345508D+01
                56            57            58            59            60 
      1  -0.583718D+02  0.117277D+02  0.196764D+01  0.222750D+02 -0.111283D+02
      2   0.383180D+02 -0.302072D+01 -0.499078D+01 -0.183565D+02  0.101842D+02
      3   0.200538D+02 -0.870703D+01  0.302314D+01 -0.391856D+01  0.944141D+00
      4  -0.299497D+02  0.656649D+01  0.323886D+02 -0.179755D+02  0.830119D-01
      5   0.772695D+01 -0.152305D+02 -0.853855D+01  0.634619D+00 -0.908635D+00
      6  -0.668833D+00  0.989474D+01  0.255580D+01  0.110535D+02  0.339762D+01
                61            62            63            64            65 
      1  -0.176786D+01 -0.734491D+01 -0.214399D+02  0.277987D+01 -0.877653D+00
      2   0.289541D+01  0.144268D+02  0.347960D+01 -0.730297D+00  0.176051D+01
      3  -0.112754D+01 -0.708185D+01  0.179603D+02 -0.204957D+01 -0.882855D+00
      4  -0.581391D+01  0.253692D+01 -0.984196D+01  0.698412D+01  0.912490D+01
      5   0.904307D+00 -0.119254D+02  0.897849D+01 -0.212406D+01 -0.228462D+01
      6   0.115635D+01  0.164415D+02 -0.570781D+01 -0.143420D+01 -0.130449D+01
                66            67            68            69            70 
      1   0.232676D+00 -0.400439D+01 -0.158137D+02  0.422719D+01  0.684856D+00
      2   0.164415D+00  0.534789D+01  0.173677D+02 -0.192752D+01 -0.821877D-01
      3  -0.397091D+00 -0.134350D+01 -0.155396D+01 -0.229967D+01 -0.602668D+00
      4  -0.173556D+01  0.118003D+02  0.167569D+02 -0.360979D+01 -0.286707D+01
      5   0.278955D+01 -0.340966D+01 -0.378443D+01  0.367545D+01  0.189333D+01
      6   0.112624D+01 -0.284381D+01 -0.670968D+01  0.532263D+01  0.226246D+01
                71            72            73            74            75 
      1   0.293816D+01 -0.346482D+01  0.225858D+01  0.534459D+01 -0.101999D+01
      2  -0.255004D+01  0.240921D+01  0.981746D+01 -0.157499D+02  0.192513D+01
      3  -0.388117D+00  0.105561D+01 -0.120760D+02  0.104053D+02 -0.905146D+00
      4  -0.416437D+01  0.231801D+01 -0.280705D+02  0.248250D+02 -0.374752D+01
      5   0.749924D+00 -0.154366D+01  0.409427D+01 -0.386938D+01  0.403139D+01
      6   0.324202D+01 -0.260489D+01 -0.265795D+01  0.314645D+01 -0.350372D+01
                76            77            78            79            80 
      1   0.995973D+01 -0.212641D+02  0.376365D+01 -0.263804D+01  0.440548D+01
      2  -0.217695D+02  0.377801D+02 -0.474635D+01  0.559709D+01 -0.677330D+01
      3   0.118098D+02 -0.165160D+02  0.982707D+00 -0.295905D+01  0.236782D+01
      4   0.276061D+02 -0.343087D+02  0.559004D+01 -0.511478D+01  0.601875D+01
      5  -0.532228D+01  0.566870D+01 -0.438142D+01  0.405206D+00 -0.262172D+01
      6   0.597942D+01 -0.711795D+01  0.669522D+01  0.102291D+01  0.339634D+01
                81            82            83            84            85 
      1  -0.946183D+00 -0.635223D+01 -0.113184D+02  0.327014D+01 -0.845164D+01
      2   0.207452D+01  0.942845D+01  0.166272D+02 -0.343548D+01  0.112862D+02
      3  -0.112834D+01 -0.307622D+01 -0.530881D+01  0.165333D+00 -0.283451D+01
      4  -0.258887D+01  0.840268D+01  0.165409D+02 -0.370051D+01  0.977665D+01
      5   0.154810D+01 -0.140590D+01 -0.246221D+01  0.281479D+01 -0.168274D+01
      6  -0.239657D+01 -0.307130D+01 -0.506375D+01  0.348664D+01 -0.328701D+01
                86            87            88            89            90 
      1  -0.483569D+02  0.119751D+02  0.242666D+01  0.122811D+02 -0.370147D+01
      2   0.661768D+02 -0.129835D+02 -0.347012D+01 -0.156517D+02  0.409825D+01
      3  -0.178200D+02  0.100836D+01  0.104346D+01  0.337064D+01 -0.396783D+00
      4   0.219598D+02 -0.476941D+01 -0.317354D+01 -0.513815D+01  0.257952D+01
      5  -0.234481D+01  0.186467D+01  0.850358D+00  0.240303D+01 -0.135832D+01
      6  -0.172599D+02  0.111632D+02  0.461066D+00  0.604363D+01 -0.386625D+01
                91            92            93            94            95 
      1   0.218006D+00  0.545060D+01 -0.143807D+02  0.698514D+00 -0.814506D+01
      2   0.456760D+01 -0.251337D+00  0.605780D+00  0.602288D+01 -0.308955D+01
      3  -0.478560D+01 -0.519927D+01  0.137750D+02 -0.672140D+01  0.112346D+02
      4  -0.455667D+01 -0.179103D+02 -0.294046D+01 -0.210808D+02  0.285363D+02
      5   0.898637D+00 -0.462925D+01 -0.200941D+02  0.888148D+00 -0.174816D+02
      6  -0.379381D+01  0.851443D+00  0.850380D+00 -0.449531D+01  0.380073D+01
                96            97            98            99           100 
      1  -0.169308D+01  0.100073D+01 -0.285258D+01 -0.184692D+02 -0.739826D+02
      2   0.151314D+01 -0.160907D+02  0.752340D+01  0.189342D+02  0.427182D+02
      3   0.179939D+00  0.150899D+02 -0.467081D+01 -0.465016D+00  0.312644D+02
      4  -0.199657D+02 -0.610483D+01 -0.203269D+02 -0.397239D+01  0.253838D+01
      5  -0.430413D+01 -0.611155D+02  0.273001D+01  0.203520D+02  0.397131D+02
      6   0.352667D+01  0.234926D+01 -0.196947D+01 -0.174744D+01  0.183647D+00
               101           102           103           104           105 
      1  -0.132668D+01  0.289106D+02 -0.865902D+01  0.333933D+02  0.624694D+01
      2   0.316434D+00 -0.819865D+01  0.200286D+01 -0.718989D+01 -0.177873D+01
      3   0.101025D+01 -0.207119D+02  0.665616D+01 -0.262034D+02 -0.446821D+01
      4   0.206164D+02  0.800251D+00  0.195973D+02 -0.340303D+01  0.250650D+02
      5   0.251765D+01  0.984182D+01  0.441748D+01  0.162730D+02  0.438674D+01
      6  -0.123572D+02 -0.136435D+01 -0.706028D+01 -0.205002D+01 -0.202195D+02
               106           107           108           109           110 
      1   0.583587D+01  0.470973D+01  0.170542D+02 -0.607071D+02 -0.239563D+02
      2   0.153349D+02 -0.387625D+01 -0.229267D+02  0.200839D+02  0.147886D+01
      3  -0.211708D+02 -0.833482D+00  0.587242D+01  0.406232D+02  0.224774D+02
      4  -0.463530D+00  0.215001D+02  0.175166D+01 -0.437712D+02 -0.266907D+02
      5   0.388299D+02 -0.909111D+00 -0.320520D+02  0.942855D+01  0.130906D+01
      6  -0.258011D+01 -0.147291D+02 -0.387352D+01  0.850202D+00  0.381069D+01
               111           112           113           114           115 
      1   0.529377D+01 -0.332454D+02 -0.153288D+02  0.110067D+02  0.339638D+02
      2  -0.352857D+01  0.704019D+01  0.192316D+01  0.982550D-01 -0.123582D+02
      3  -0.176520D+01  0.262052D+02  0.134056D+02 -0.111050D+02 -0.216056D+02
      4   0.438738D+01 -0.157998D+02 -0.251395D+02  0.124927D+02  0.205171D+02
      5   0.763496D+00  0.100170D+01  0.932702D+01 -0.521486D+01  0.190699D+02
      6  -0.407901D+01  0.462210D+01 -0.168356D+01 -0.855941D+00  0.308386D+01
               116           117           118           119           120 
      1   0.858314D+01  0.197473D+02  0.142971D+02 -0.117352D+02  0.647825D+01
      2  -0.783349D+00 -0.167019D+01 -0.157139D+01  0.209492D+01 -0.174537D+01
      3  -0.779979D+01 -0.180771D+02 -0.127257D+02  0.964031D+01 -0.473289D+01
      4   0.203361D+02  0.454119D+01 -0.234336D+02  0.226575D+02 -0.223589D+01
      5   0.215710D+01  0.717539D+00  0.814516D+01 -0.177098D+01  0.112529D+02
      6  -0.939500D+00 -0.237363D+01 -0.213346D+01  0.118545D+01 -0.109037D+01
               121           122           123           124           125 
      1  -0.195436D+02  0.386018D+01 -0.118436D+01  0.873389D+01  0.436073D+00
      2   0.529436D+01  0.116617D+02 -0.259731D+01 -0.318425D+01 -0.349953D+01
      3   0.142493D+02 -0.155218D+02  0.378167D+01 -0.554964D+01  0.306345D+01
      4   0.231800D+02 -0.432321D+02  0.102159D+02 -0.409812D+01  0.138614D+02
      5  -0.273050D+01  0.935197D+01 -0.108020D+02  0.135655D+02 -0.878273D+01
      6   0.126741D+01 -0.354534D+01  0.429871D+01 -0.252203D+01  0.611211D+01
               126           127           128           129           130 
      1   0.400117D+01 -0.183181D+01  0.784221D+01 -0.109163D+02  0.112192D+02
      2  -0.209923D+01  0.559806D+00 -0.302670D+01 -0.542175D-01 -0.682046D+01
      3  -0.190193D+01  0.127200D+01 -0.481551D+01  0.109706D+02 -0.439876D+01
      4  -0.945415D+01  0.362856D+01 -0.647134D+01  0.266602D+01 -0.434079D+00
      5   0.556534D+01 -0.417649D+00 -0.111467D+00 -0.606645D+01 -0.833972D+01
      6  -0.322614D+01 -0.352719D+01  0.595251D+01 -0.306992D+01  0.138194D+01
               131           132           133           134           135 
      1  -0.170079D+02  0.111651D+02 -0.533842D+01  0.665348D+01 -0.139003D+02
      2   0.557679D+01  0.328628D+01  0.135781D+01  0.163948D+01 -0.189143D+01
      3   0.114311D+02 -0.144514D+02  0.398061D+01 -0.829296D+01  0.157918D+02
      4   0.225265D+02 -0.147938D+02 -0.903023D-01 -0.110133D+02  0.846162D+01
      5  -0.105588D+02  0.162009D+02  0.211661D+01  0.630096D+01 -0.103784D+02
      6  -0.166343D+02  0.134369D+02 -0.293833D+00  0.109121D+02 -0.796980D+01
               136           137           138           139           140 
      1   0.110681D+03 -0.148315D+01 -0.204315D+02  0.297757D+01  0.543939D+01
      2  -0.668964D+02  0.654557D+00  0.192651D+02 -0.269121D+01 -0.378570D+01
      3  -0.437841D+02  0.828592D+00  0.116641D+01 -0.286367D+00 -0.165369D+01
      4  -0.616752D+01  0.115094D+02  0.251546D+01  0.130937D+02  0.448458D+00
      5  -0.647010D+02  0.194064D+01  0.308284D+02 -0.246967D+01 -0.621231D+01
      6   0.285508D+01 -0.406218D+01 -0.161521D+01 -0.386504D+01 -0.107207D+00
               141           142           143           144           145 
      1  -0.897030D+00 -0.897268D+01 -0.132136D+01  0.851155D+01  0.343491D+00
      2   0.144831D+01  0.937742D+01  0.551119D+00 -0.727057D+01 -0.928126D+00
      3  -0.551280D+00 -0.404740D+00  0.770244D+00 -0.124097D+01  0.584635D+00
      4  -0.508065D+01 -0.638995D+00 -0.366963D+01  0.500186D+00 -0.329646D+01
      5   0.215366D+01  0.182210D+02  0.122393D+01 -0.797303D+01 -0.325346D+01
      6   0.401924D+01 -0.148337D+00  0.293895D+01  0.539908D+00  0.380570D+01
               146           147           148           149           150 
      1  -0.911959D+01 -0.129347D+02 -0.857250D+01 -0.203494D+02 -0.159334D+02
      2   0.374199D+01  0.168549D+01  0.580928D+01  0.947534D+01 -0.232988D+00
      3   0.537760D+01  0.112492D+02  0.276323D+01  0.108740D+02  0.161663D+02
      4  -0.495622D+01 -0.271113D+01  0.341474D+01 -0.257822D+02 -0.205130D+02
      5  -0.400025D+00 -0.469310D+01  0.852985D+01 -0.162532D+02 -0.214899D+02
      6   0.656530D+01  0.494517D+01 -0.328250D+00  0.217815D+02  0.199889D+02
               151           152           153           154           155 
      1  -0.530658D+01 -0.113755D+02 -0.199050D+02  0.144408D+03  0.381612D+02
      2   0.258356D+01 -0.576648D-01 -0.242190D+01 -0.603289D+02 -0.889360D+01
      3   0.272302D+01  0.114332D+02  0.223269D+02 -0.840791D+02 -0.292676D+02
      4   0.260496D+01 -0.150911D+02 -0.145750D+02  0.703916D+02  0.468450D+02
      5   0.438118D+01 -0.127063D+02 -0.196759D+02  0.180641D+01  0.289424D+01
      6  -0.303805D+00  0.155308D+02  0.160377D+02 -0.170502D+01 -0.682517D+00
               156           157           158           159           160 
      1  -0.967556D+01  0.480978D+02  0.309491D+02 -0.522825D+01 -0.131763D+02
      2   0.152461D+01 -0.690402D+01  0.529524D+01 -0.148072D+01  0.282138D+01
      3   0.815095D+01 -0.411938D+02 -0.362443D+02  0.670897D+01  0.103549D+02
      4  -0.129047D+01  0.664671D+02  0.620241D+02 -0.873271D+01 -0.928235D+01
      5   0.276614D+02 -0.206871D+01 -0.390670D+01  0.163931D+02  0.282968D+02
      6   0.713479D+01  0.676838D+00  0.698748D+00  0.818706D+01  0.880574D+01
               161           162           163           164           165 
      1  -0.369281D+01  0.160734D+02  0.350410D+02  0.149424D+02  0.100485D+02
      2  -0.241775D+01 -0.793209D+01 -0.205377D+02 -0.461768D+01 -0.792774D+01
      3   0.611057D+01 -0.814128D+01 -0.145033D+02 -0.103248D+02 -0.212077D+01
      4  -0.136640D+02  0.144145D+02  0.282482D+02  0.145387D+02  0.232387D+01
      5   0.127897D+02 -0.130784D+02  0.214398D+02  0.347889D+01  0.159619D+02
      6   0.716800D+01 -0.256726D+01  0.109702D+02  0.190098D+01  0.895084D+00
               166           167           168           169           170 
      1   0.196985D+02 -0.401848D+01 -0.111261D+02 -0.754853D+01 -0.902920D+01
      2  -0.907022D+01  0.388594D+01  0.278930D+01 -0.167302D+01  0.210723D+01
      3  -0.106283D+02  0.132536D+00  0.833677D+01  0.922155D+01  0.692198D+01
      4   0.176279D+02  0.110307D+02  0.112368D+02 -0.436258D+01  0.169107D+01
      5   0.114530D+02  0.129670D+02  0.128988D+02  0.152501D+02  0.658809D+01
      6   0.390081D+01  0.916105D+01  0.128052D+02  0.104002D+01  0.103079D+02
               171           172           173           174           175 
      1  -0.260419D+02 -0.376833D+02 -0.891092D+01  0.963171D+01 -0.211510D+02
      2  -0.141782D+02  0.182400D+02  0.289925D+01  0.233005D+01  0.119026D+02
      3   0.402201D+02  0.194433D+02  0.601167D+01 -0.119618D+02  0.924836D+01
      4   0.465199D+01 -0.246585D+02 -0.109175D+02 -0.165595D+01 -0.170279D+02
      5   0.437872D+02 -0.154894D+02 -0.521660D+01 -0.122806D+02 -0.114266D+02
      6   0.130107D+02 -0.811358D+01 -0.487342D+01 -0.359531D+01 -0.555557D+01
               176           177           178           179           180 
      1  -0.104327D+02  0.313495D+01 -0.710477D+00  0.993611D+00 -0.112232D+02
      2   0.490938D+01  0.317658D+01  0.609432D+01  0.589165D+00  0.220470D+01
      3   0.552333D+01 -0.631153D+01 -0.538385D+01 -0.158278D+01  0.901848D+01
      4  -0.695020D+01  0.603146D+00 -0.679451D+01 -0.638627D+00 -0.514679D+01
      5  -0.633728D+00 -0.967050D+01 -0.750816D+01 -0.217143D+01  0.231355D+01
      6  -0.311129D+01  0.994468D+00 -0.336855D+01  0.150650D+01 -0.181878D+01
               181           182           183           184           185 
      1  -0.473898D+00  0.640774D+02 -0.143459D+02 -0.764090D+02  0.346380D+02
      2  -0.100388D+01 -0.429969D+02  0.376371D+01  0.491620D+02 -0.261773D+02
      3   0.147778D+01 -0.210804D+02  0.105821D+02  0.272470D+02 -0.846070D+01
      4   0.337205D+02  0.367473D+02 -0.905128D+01  0.362643D+02  0.213303D+02
      5  -0.411289D+01 -0.112203D+02  0.194189D+02 -0.105731D+01 -0.136306D+02
      6  -0.299552D+01  0.501126D+01 -0.123366D+02 -0.104755D+02  0.909120D+01
               186           187           188           189           190 
      1  -0.481740D+01  0.210452D+02 -0.143339D+02  0.238931D+01  0.133059D+03
      2   0.476833D+01 -0.216527D+02  0.139790D+02 -0.848853D+01 -0.752930D+02
      3   0.490664D-01  0.607452D+00  0.354875D+00  0.609923D+01 -0.577665D+02
      4  -0.137320D+02 -0.695249D+01 -0.152640D+02 -0.123597D+02 -0.196008D+02
      5  -0.626362D+01  0.282938D+02 -0.137108D+02  0.915745D+01  0.875953D+01
      6   0.409133D+01 -0.137619D+02  0.928004D+01  0.132004D+01  0.203130D+01
               191           192           193           194           195 
      1  -0.423799D+02  0.398591D+01  0.215713D+01 -0.272738D+02  0.126809D+02
      2   0.276082D+02 -0.214964D+01 -0.572168D+01  0.272584D+02 -0.143689D+02
      3   0.147716D+02 -0.183627D+01  0.356454D+01  0.154353D-01  0.168803D+01
      4   0.313683D+02 -0.502843D+01 -0.275789D+02 -0.603702D+02  0.149124D+02
      5  -0.620675D+01  0.685137D+01  0.176807D+02  0.148192D+02 -0.516424D+01
      6   0.906834D-01  0.513183D+01  0.573986D+01 -0.951783D+01 -0.187006D+01
               196           197           198           199           200 
      1  -0.227211D+01  0.146681D+02  0.227275D+02 -0.112223D+03  0.171376D+02
      2   0.279822D+01 -0.118051D+02 -0.200667D+02  0.543776D+02 -0.787179D+01
      3  -0.526107D+00 -0.286300D+01 -0.266085D+01  0.578454D+02 -0.926582D+01
      4   0.203343D+02  0.930046D+01 -0.738537D+01  0.206109D+02 -0.341035D+02
      5   0.477398D+02 -0.136806D+02  0.172956D+01 -0.551680D+01  0.144663D+02
      6  -0.188783D+01  0.729344D+01  0.397569D+01  0.679083D+01 -0.124884D+01
               201           202           203           204           205 
      1   0.200213D+01  0.916419D+02 -0.167349D+02 -0.449088D+01 -0.154117D+02
      2  -0.105523D+01 -0.577919D+02  0.131058D+01  0.615790D+01  0.128636D+02
      3  -0.946898D+00 -0.338500D+02  0.154243D+02 -0.166702D+01  0.254813D+01
      4   0.102663D+02 -0.116504D+02  0.300562D+02  0.317583D+01  0.509263D+01
      5   0.163604D+01  0.382137D+01  0.230922D+01  0.922905D+01  0.566020D+01
      6   0.106290D+00  0.585926D+01  0.112527D+02  0.411031D+01  0.298261D+01
               206           207           208           209           210 
      1   0.151916D+01 -0.156708D+02  0.273103D+01  0.358026D+02 -0.580356D+01
      2   0.680718D+01 -0.178296D+01 -0.321037D+01 -0.223014D+02  0.256919D+01
      3  -0.832634D+01  0.174538D+02  0.479334D+00 -0.135011D+02  0.323437D+01
      4   0.927199D+01  0.243554D+02  0.270132D+02  0.258690D+01  0.379053D+01
      5   0.253099D+02 -0.140030D+02 -0.767070D+01  0.440546D+01  0.241062D+02
      6   0.126010D+02 -0.145773D+01  0.807363D+00 -0.101497D+01 -0.635507D+01
               211           212           213           214           215 
      1   0.100365D+02  0.968550D+01 -0.371086D+01 -0.132606D+01 -0.386390D+01
      2  -0.273723D+01 -0.308754D+01  0.530084D+01  0.194400D+01  0.357545D+01
      3  -0.729931D+01 -0.659796D+01 -0.158998D+01 -0.617941D+00  0.288446D+00
      4   0.330084D+02  0.119791D+02 -0.546729D+01 -0.721930D+01 -0.100067D+00
      5  -0.782253D+01 -0.447597D+01 -0.100114D+02  0.107640D+02  0.503306D+01
      6  -0.115420D+01  0.183422D+01  0.777433D+01  0.229828D+01  0.248142D+01
               216           217           218           219           220 
      1   0.306512D+01 -0.708143D+02 -0.449693D+02  0.152556D+02 -0.562232D+02
      2  -0.214174D+01  0.428760D+02  0.226345D+02 -0.800299D+01  0.281642D+02
      3  -0.923377D+00  0.279383D+02  0.223347D+02 -0.725256D+01  0.280590D+02
      4   0.678482D+01 -0.428399D+02  0.140491D+02  0.160215D+01 -0.143048D+02
      5  -0.244567D+01  0.148918D+02  0.181501D+01 -0.566906D+01  0.695273D+01
      6  -0.283368D+01 -0.152566D+01 -0.981089D+00  0.167249D+01  0.242244D+01
               221           222           223           224           225 
      1   0.114678D+02  0.103288D+02  0.162766D+02  0.784554D+01  0.133473D+01
      2  -0.101912D+02 -0.124834D+02 -0.375338D+01 -0.101072D+02 -0.141924D+01
      3  -0.127661D+01  0.215461D+01 -0.125232D+02  0.226165D+01  0.845151D-01
      4   0.290497D+02  0.221849D+02  0.564482D+01  0.156547D+02  0.415586D+02
      5   0.224496D+02  0.647687D+02 -0.248493D+02  0.453127D+02 -0.399456D+02
      6  -0.866746D+01 -0.183911D+02  0.111912D+02 -0.142409D+02  0.781713D+01
               226           227           228           229           230 
      1  -0.694055D+01 -0.157490D+02  0.449360D+01 -0.760458D+01 -0.439219D+02
      2   0.682645D+01  0.147038D+02 -0.308412D+01  0.715553D+01  0.496688D+02
      3   0.114104D+00  0.104516D+01 -0.140948D+01  0.449056D+00 -0.574691D+01
      4   0.188272D+00  0.517197D+01 -0.758760D+00  0.257613D+01 -0.933873D+01
      5   0.250473D+00 -0.488593D+00  0.124975D+01  0.291812D-01  0.379798D+01
      6  -0.227215D+01 -0.427551D+01  0.275414D+01 -0.196302D+01 -0.148467D+02
               231           232           233           234           235 
      1   0.111645D+02  0.235144D+01  0.113590D+02 -0.364045D+01  0.386819D+02
      2  -0.926948D+01 -0.204327D+01 -0.116399D+02  0.330284D+01 -0.142246D+02
      3  -0.189499D+01 -0.308167D+00  0.280944D+00  0.337614D+00 -0.244573D+02
      4   0.264440D+01 -0.671415D-01  0.253766D+01  0.107779D+01 -0.301024D+02
      5  -0.240001D+01  0.172533D+01 -0.104028D+00 -0.276023D+00  0.553358D+01
      6   0.926075D+01  0.535022D+00  0.520898D+01 -0.332758D+01 -0.185513D+01
               236           237           238           239           240 
      1  -0.123685D+02  0.942225D+00 -0.129117D+02  0.445877D+01 -0.105730D+01
      2  -0.221437D+00  0.202512D+00 -0.472218D+01  0.146902D+02 -0.745072D+00
      3   0.125899D+02 -0.114474D+01  0.176339D+02 -0.191489D+02  0.180237D+01
      4   0.244694D+02 -0.369744D+01  0.366117D+02 -0.419639D+02  0.681380D+01
      5  -0.477550D+01  0.333817D+01 -0.895485D+01  0.872448D+01 -0.609092D+01
      6   0.236688D+01 -0.185141D+01  0.558377D+01 -0.645644D+01  0.524296D+01
               241           242           243           244           245 
      1   0.420678D+00 -0.720374D+00 -0.136853D+01  0.497569D+01  0.826951D+01
      2   0.293050D+01 -0.269332D+01  0.144864D+01  0.245781D+01  0.877369D+00
      3  -0.335118D+01  0.341370D+01 -0.801105D-01 -0.743349D+01 -0.914688D+01
      4  -0.733768D+01  0.807096D+01 -0.243051D+01  0.241570D+02  0.229778D+02
      5  -0.594741D+00 -0.214890D+01  0.167098D+01 -0.568919D+01 -0.492001D+01
      6   0.192124D+00  0.219936D+01 -0.169264D+01 -0.291898D+01 -0.276167D+01
               246           247           248           249           250 
      1  -0.196999D+01  0.614881D+01 -0.860815D+01  0.202604D+01 -0.168375D+01
      2   0.636585D+00  0.619213D+01  0.233723D+02 -0.305903D+01 -0.425171D+00
      3   0.133340D+01 -0.123409D+02 -0.147642D+02  0.103299D+01  0.210892D+01
      4  -0.595410D+01  0.302256D+02  0.496747D+02 -0.119040D+02 -0.806335D+01
      5   0.520598D+01 -0.663044D+01 -0.101259D+02  0.820931D+01  0.384896D+01
      6   0.267730D+01 -0.463352D+01 -0.879996D+01  0.741043D+01  0.336355D+01
               251           252           253           254           255 
      1   0.131988D+01 -0.111226D+01  0.402712D+01 -0.585472D+01 -0.108647D+02
      2  -0.433351D+01  0.223819D+01 -0.139545D+01  0.328964D+01  0.534356D+01
      3   0.301363D+01 -0.112593D+01 -0.263168D+01  0.256508D+01  0.552118D+01
      4  -0.128957D+02  0.421961D+01 -0.302769D+01 -0.404553D+00  0.182294D+01
      5   0.239966D+01 -0.259376D+01 -0.951900D+01  0.100325D+01 -0.309486D+01
      6   0.372409D+01 -0.331890D+01  0.262530D+01  0.919188D+00  0.198828D+01
               256           257           258           259           260 
      1  -0.193575D+02  0.172656D+01 -0.339370D+00 -0.288668D+02  0.185534D+01
      2   0.546493D+01  0.115389D+02  0.478454D+01  0.129120D+02  0.334601D+01
      3   0.138926D+02 -0.132655D+02 -0.444517D+01  0.159549D+02 -0.520135D+01
      4   0.324675D+02 -0.541191D+02 -0.289715D+02  0.204014D+02 -0.316915D+02
      5   0.147897D+02 -0.297996D+02 -0.318969D+02  0.233249D+02 -0.306021D+02
      6  -0.725428D+01  0.137678D+02  0.125873D+02 -0.858446D+01  0.133180D+02
               261           262           263           264           265 
      1   0.793164D-02  0.110152D+02 -0.159069D+01  0.122559D+02 -0.570816D+01
      2  -0.137092D+01 -0.700895D+01  0.998804D+00 -0.530357D+01  0.209754D+01
      3   0.136299D+01 -0.400628D+01  0.591884D+00 -0.695231D+01  0.361063D+01
      4  -0.284249D+02 -0.101536D+01 -0.383374D+00 -0.523296D+01  0.178122D+02
      5  -0.311151D+02  0.131913D+02 -0.450114D+01  0.353987D+01 -0.137348D+02
      6   0.119215D+02 -0.300602D+01  0.879797D+00  0.291030D+00  0.410775D+01
               266           267           268           269           270 
      1   0.281065D+01 -0.477995D+01  0.416520D+02 -0.832020D+01  0.908608D+01
      2   0.975206D+00  0.185226D+01 -0.259422D+02  0.451716D+01 -0.145221D+02
      3  -0.378585D+01  0.292770D+01 -0.157098D+02  0.380304D+01  0.543606D+01
      4  -0.201146D+02  0.149381D+02 -0.219756D+02  0.207237D+02 -0.258644D+02
      5   0.156567D+02 -0.267854D+02  0.428639D+02 -0.292584D+02  0.739652D+02
      6  -0.555242D+01  0.104217D+02 -0.991872D+01  0.110389D+02 -0.162559D+02
               271           272           273           274           275 
      1   0.194716D+03  0.183472D+02 -0.138196D+02  0.594972D+02  0.184004D+02
      2  -0.103325D+03 -0.107623D+02  0.787975D+01 -0.323055D+02 -0.923514D+01
      3  -0.913915D+02 -0.758485D+01  0.593982D+01 -0.271917D+02 -0.916523D+01
      4   0.151049D+02  0.156951D+02 -0.689869D+00  0.221584D+02  0.139314D+02
      5  -0.146090D+02 -0.851721D+00  0.185828D+02 -0.361274D+01 -0.432250D+01
      6   0.219097D+01  0.263865D-01 -0.117925D+01  0.210900D+00  0.524379D+00
               276           277           278           279 
      1  -0.419500D+01 -0.237621D+02 -0.231753D+01  0.166593D+02
      2   0.288329D+01  0.134043D+02  0.216470D+01 -0.100127D+02
      3   0.131172D+01  0.103578D+02  0.152828D+00 -0.664662D+01
      4  -0.428002D+01 -0.114758D+01 -0.533590D+01 -0.121788D+01
      5   0.501190D+01  0.240544D+02 -0.136042D+01 -0.373277D+01
      6   0.135961D+01 -0.102417D+01  0.240562D+01 -0.169929D+00
 Leave Link  716 at Fri Aug 13 01:07:36 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.299444D+03 -0.175850D+02 -0.792047D+01
      2  -0.175850D+02  0.177867D+03 -0.112483D+02
      3  -0.792047D+01 -0.112483D+02  0.123609D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.604115D+01  0.204277D+02 -0.318301D+01
      2  -0.841131D+00 -0.160564D+02 -0.255355D+02
      3   0.132392D+03 -0.576516D+02  0.198920D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.371863D+03 -0.188643D+03  0.180691D+02
      2  -0.183974D+03  0.148263D+03 -0.506759D+02
      3  -0.187890D+03  0.403797D+02  0.326068D+02
      4  -0.112660D+03  0.104502D+03 -0.444783D+02
      5   0.802100D+02 -0.540328D+02 -0.506694D+02
      6  -0.182067D+02  0.155631D+02 -0.328298D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.404997D+02  0.125461D+02 -0.897147D+00 -0.388892D+02  0.797310D+01
      2   0.125461D+02 -0.783962D+01  0.110639D+01  0.797310D+01 -0.590954D+01
      3  -0.897147D+00  0.110639D+01 -0.333486D-01  0.810125D-01  0.807411D+00
                 6             7             8             9            10 
      1   0.810125D-01  0.123632D+02 -0.311492D+01 -0.105650D+01  0.382034D+02
      2   0.807411D+00 -0.311492D+01  0.158609D+01 -0.108240D+01 -0.126617D+02
      3   0.789580D-01 -0.105650D+01 -0.108240D+01  0.677863D+00  0.838718D+00
                11            12            13            14            15 
      1  -0.126617D+02  0.838718D+00  0.419902D+02 -0.896110D+01  0.285345D-01
      2   0.410639D+01 -0.226904D+00 -0.896110D+01  0.816253D+01 -0.128403D+01
      3  -0.226904D+00 -0.127701D+00  0.285345D-01 -0.128403D+01 -0.845754D-01
                16            17            18            19            20 
      1  -0.126040D+02  0.324114D+01  0.799340D+00  0.409959D+02 -0.123376D+02
      2   0.324114D+01 -0.180357D+01  0.120518D+01 -0.123376D+02  0.113329D+02
      3   0.799340D+00  0.120518D+01 -0.475138D+00  0.102229D+01 -0.215766D+01
                21            22            23            24            25 
      1   0.102229D+01 -0.215518D+02  0.390958D+01 -0.389256D+00  0.358769D+01
      2  -0.215766D+01  0.390958D+01 -0.813590D+01  0.477266D+00 -0.744009D+00
      3   0.494661D+00 -0.389256D+00  0.477266D+00 -0.166992D+01 -0.495124D+00
                26            27            28            29            30 
      1  -0.744009D+00 -0.495124D+00 -0.470878D+02  0.668695D+01  0.268626D+00
      2  -0.304343D+00 -0.310916D+01  0.668695D+01 -0.471514D+01  0.118142D+00
      3  -0.310916D+01  0.214478D+01  0.268626D+00  0.118142D+00 -0.209544D+01
                31            32            33            34            35 
      1   0.863524D+01 -0.285896D+01 -0.113382D+01 -0.493827D+01 -0.832213D+00
      2  -0.285896D+01  0.172794D+02 -0.382084D+01 -0.832213D+00 -0.308620D+01
      3  -0.113382D+01 -0.382084D+01  0.723697D+00 -0.647821D+01  0.176926D+01
                36            37            38            39            40 
      1  -0.647821D+01 -0.386743D+01 -0.225147D+01  0.597353D+00  0.104170D+02
      2   0.176926D+01 -0.225147D+01 -0.145488D+02  0.320315D+01 -0.220712D+01
      3   0.885140D-01  0.597353D+00  0.320315D+01 -0.314015D+01 -0.857087D+00
                41            42            43            44            45 
      1  -0.220712D+01 -0.857087D+00 -0.264125D+01 -0.628753D+00 -0.524693D+01
      2  -0.656825D+01  0.278908D+01 -0.628753D+00  0.381940D+01  0.202802D+01
      3   0.278908D+01  0.794824D+00 -0.524693D+01  0.202802D+01 -0.816319D+00
                46            47            48            49            50 
      1   0.104315D+02  0.165247D+01 -0.725041D+00  0.313789D+00 -0.336578D+01
      2   0.165247D+01  0.102780D+02 -0.173894D+01 -0.336578D+01  0.133790D+01
      3  -0.725041D+00 -0.173894D+01  0.246705D+01  0.117274D+01  0.143347D+01
                51            52            53            54            55 
      1   0.117274D+01 -0.331005D+00  0.114566D+01  0.926645D+00 -0.607587D+01
      2   0.143347D+01  0.114566D+01  0.130651D+01  0.409655D+01 -0.284035D+01
      3   0.995114D+00  0.926645D+00  0.409655D+01 -0.271683D+01  0.889011D+00
                56            57            58            59            60 
      1  -0.284035D+01  0.889011D+00 -0.726686D+00  0.370495D+01 -0.121625D+01
      2  -0.566694D+01  0.743338D+00  0.370495D+01 -0.334307D+01 -0.761758D+00
      3   0.743338D+00 -0.251182D+01 -0.121625D+01 -0.761758D+00 -0.932169D+00
                61            62            63            64            65 
      1   0.313142D+00 -0.121423D+01 -0.542033D+00 -0.170858D+01 -0.220828D+01
      2  -0.121423D+01 -0.768995D+00 -0.375603D+01 -0.220828D+01 -0.112762D+01
      3  -0.542033D+00 -0.375603D+01  0.256499D+01  0.587446D+00  0.310318D+00
                66            67            68            69            70 
      1   0.587446D+00 -0.287345D+01 -0.271781D+01  0.805920D+00  0.829580D+00
      2   0.310318D+00 -0.271781D+01 -0.525127D+01  0.128912D+01  0.798062D+00
      3  -0.381941D+00  0.805920D+00  0.128912D+01 -0.106408D+01 -0.335899D+00
                71            72            73            74            75 
      1   0.798062D+00 -0.335899D+00 -0.551947D+01  0.348603D+01 -0.467136D+00
      2   0.127518D+01 -0.428748D+00  0.348603D+01 -0.356297D+01  0.579208D+00
      3  -0.428748D+00  0.359199D+00 -0.467136D+00  0.579208D+00 -0.442596D+00
                76            77            78            79            80 
      1   0.391459D+01 -0.462685D+01  0.987058D+00 -0.551405D+00  0.103740D+01
      2  -0.462685D+01  0.646790D+01 -0.102618D+01  0.103740D+01 -0.121598D+01
      3   0.987058D+00 -0.102618D+01  0.839174D+00  0.327631D+00  0.394594D+00
                81            82            83            84            85 
      1   0.327631D+00  0.126925D+01  0.184146D+01 -0.509167D+00  0.769489D+00
      2   0.394594D+00  0.184146D+01  0.280524D+01 -0.733953D+00  0.192769D+01
      3  -0.310394D+00 -0.509167D+00 -0.733953D+00  0.432938D+00 -0.462458D+00
                86            87            88            89            90 
      1   0.192769D+01 -0.462458D+00 -0.280494D+00 -0.518922D+00  0.118144D+00
      2   0.962775D+01 -0.224942D+01 -0.518922D+00 -0.252295D+01  0.564702D+00
      3  -0.224942D+01  0.135969D+01  0.118144D+00  0.564702D+00 -0.350615D+00
                91            92            93            94            95 
      1   0.138745D+02 -0.191428D+01  0.263856D+00  0.450461D+01  0.122975D+01
      2  -0.191428D+01  0.157091D+01  0.782119D+00  0.122975D+01 -0.233068D+01
      3   0.263856D+00  0.782119D+00  0.278858D+01  0.638598D+00  0.234730D+01
                96            97            98            99           100 
      1   0.638598D+00 -0.373735D+01  0.150280D+01  0.772216D+01  0.870835D+01
      2   0.234730D+01  0.150280D+01  0.189058D+01 -0.147068D+00  0.304042D+00
      3   0.104327D+01  0.772216D+01 -0.147068D+00 -0.223566D+01 -0.191135D+01
               101           102           103           104           105 
      1   0.304042D+00 -0.191135D+01 -0.409639D+00 -0.196238D+01 -0.212516D+00
      2  -0.182859D+01 -0.356416D+00 -0.196238D+01  0.206058D-02 -0.366050D+01
      3  -0.356416D+00 -0.223777D+01 -0.212516D+00 -0.366050D+01 -0.853009D+00
               106           107           108           109           110 
      1   0.585344D+01 -0.779295D+00 -0.524868D+01  0.524085D+01  0.370221D+01
      2  -0.779295D+00 -0.251655D+01 -0.168428D+00  0.370221D+01  0.146968D+01
      3  -0.524868D+01 -0.168428D+00  0.333870D+01 -0.164798D+01 -0.651747D+00
               111           112           113           114           115 
      1  -0.164798D+01  0.749013D+00  0.162373D+01 -0.134157D+01 -0.692564D+01
      2  -0.651747D+00  0.162373D+01  0.561194D+00 -0.121026D+01 -0.189454D+01
      3  -0.114242D+01 -0.134157D+01 -0.121026D+01 -0.523432D+00 -0.336984D+01
               116           117           118           119           120 
      1  -0.189454D+01 -0.336984D+01 -0.140044D+01  0.228712D+01 -0.891627D+00
      2  -0.188448D+01 -0.691027D-01  0.228712D+01 -0.193975D+01  0.113001D+00
      3  -0.691027D-01  0.349803D+00 -0.891627D+00  0.113001D+00 -0.128929D+01
               121           122           123           124           125 
      1   0.452784D+01 -0.217483D+01  0.246542D+00 -0.154350D+01  0.175591D+00
      2  -0.217483D+01  0.499587D+01 -0.119627D+01  0.175591D+00 -0.150122D+01
      3   0.246542D+00 -0.119627D+01  0.139870D+01 -0.157106D+01  0.108574D+01
               126           127           128           129           130 
      1  -0.157106D+01  0.457404D+00 -0.624909D+00  0.231533D+00 -0.196590D+01
      2   0.108574D+01 -0.624909D+00  0.955576D+00 -0.440548D+00  0.245161D+00
      3  -0.642345D+00  0.231533D+00 -0.440548D+00  0.159231D+01  0.374932D+00
               131           132           133           134           135 
      1   0.245161D+00  0.374932D+00  0.436730D+00 -0.338142D-01  0.336853D+00
      2  -0.325356D+01  0.213973D+01 -0.338142D-01  0.167254D+01 -0.126773D+01
      3   0.213973D+01 -0.274021D+01  0.336853D+00 -0.126773D+01  0.213142D+01
               136           137           138           139           140 
      1  -0.151260D+02  0.165220D+00  0.381968D+01 -0.684375D+00 -0.104866D+01
      2   0.165220D+00 -0.812973D+00 -0.232523D+00 -0.104866D+01 -0.102822D+00
      3   0.381968D+01 -0.232523D+00 -0.249739D+01  0.441519D-01  0.625844D+00
               141           142           143           144           145 
      1   0.441519D-01  0.150860D+01  0.145681D+00 -0.127643D+01 -0.297735D+00
      2   0.625844D+00  0.145681D+00  0.114211D+00 -0.589803D-01  0.759601D+00
      3  -0.175999D+00 -0.127643D+01 -0.589803D-01  0.408321D+00  0.622719D+00
               146           147           148           149           150 
      1   0.759601D+00  0.622719D+00  0.147034D+01  0.793800D-01 -0.421835D+00
      2   0.100370D+01  0.691093D+00  0.793800D-01  0.384656D+01  0.301953D+01
      3   0.691093D+00  0.152976D+01 -0.421835D+00  0.301953D+01  0.357778D+01
               151           152           153           154           155 
      1   0.254116D+00 -0.494769D-01  0.108216D+00 -0.155109D+02 -0.511595D+01
      2  -0.494769D-01  0.220826D+01  0.223971D+01 -0.511595D+01 -0.294230D+01
      3   0.108216D+00  0.223971D+01  0.361470D+01  0.107720D+01 -0.137692D+00
               156           157           158           159           160 
      1   0.107720D+01 -0.785288D+01 -0.582919D+01  0.711318D+00  0.171873D+01
      2  -0.137692D+00 -0.582919D+01 -0.498644D+01  0.677091D+00  0.783137D+00
      3  -0.220970D+01  0.711318D+00  0.677091D+00 -0.127989D+01 -0.225060D+01
               161           162           163           164           165 
      1   0.783137D+00 -0.225060D+01 -0.970425D+01 -0.331559D+01 -0.264180D+01
      2   0.135263D+01 -0.125355D+01 -0.331559D+01 -0.517152D+00 -0.211286D-01
      3  -0.125355D+01  0.181175D+01 -0.264180D+01 -0.211286D-01 -0.889158D+00
               166           167           168           169           170 
      1  -0.656360D+01 -0.135804D+01 -0.959806D+00  0.683873D+00  0.283481D+00
      2  -0.135804D+01 -0.124769D+01 -0.178739D+01  0.283481D+00 -0.365486D+00
      3  -0.959806D+00 -0.178739D+01 -0.222290D+01 -0.747702D+00 -0.145518D+01
               171           172           173           174           175 
      1  -0.747702D+00  0.906686D+01  0.284244D+01  0.924887D+00  0.783717D+01
      2  -0.145518D+01  0.284244D+01  0.966559D+00  0.510906D+00  0.157950D+01
      3  -0.670850D+01  0.924887D+00  0.510906D+00  0.240233D+01  0.130002D+01
               176           177           178           179           180 
      1   0.157950D+01  0.130002D+01  0.418333D+01  0.759870D+00  0.185779D+01
      2   0.610593D+00 -0.360692D+00  0.759870D+00 -0.979147D+00  0.682811D+00
      3  -0.360692D+00  0.157228D+01  0.185779D+01  0.682811D+00 -0.136440D+01
               181           182           183           184           185 
      1   0.499968D+01  0.218510D+01 -0.476784D+00 -0.140759D+02  0.463081D+01
      2   0.218510D+01  0.103724D+02 -0.229709D+01  0.463081D+01  0.310662D+01
      3  -0.476784D+00 -0.229709D+01  0.306964D+01  0.544569D+00 -0.220588D+01
               186           187           188           189           190 
      1   0.544569D+00  0.361793D+01 -0.515109D+00  0.400351D+01  0.374908D+02
      2  -0.220588D+01 -0.515109D+00 -0.289146D+01 -0.225832D+01 -0.864917D+01
      3  -0.108586D+01  0.400351D+01 -0.225832D+01  0.107191D+01  0.609810D+00
               191           192           193           194           195 
      1  -0.864917D+01  0.609810D+00 -0.477600D+01  0.274848D+01  0.136183D+01
      2   0.993845D+01 -0.105912D+01  0.274848D+01 -0.143005D+02  0.297976D+01
      3  -0.105912D+01  0.400238D+01  0.136183D+01  0.297976D+01 -0.849056D+00
               196           197           198           199           200 
      1  -0.322647D+00  0.150166D+01  0.672867D+01 -0.358431D+02  0.131878D+02
      2   0.150166D+01  0.212331D+01 -0.213975D+01  0.131878D+02 -0.946855D+01
      3   0.672867D+01 -0.213975D+01 -0.198011D+00 -0.105299D+01  0.181829D+01
               201           202           203           204           205 
      1  -0.105299D+01  0.197583D+02 -0.606265D+01  0.622122D+00 -0.237824D+01
      2   0.181829D+01 -0.606265D+01  0.857228D+01 -0.302865D-02  0.111337D+01
      3  -0.520696D+00  0.622122D+00 -0.302865D-02  0.210815D+01  0.531790D+00
               206           207           208           209           210 
      1   0.111337D+01  0.531790D+00 -0.954185D+01  0.525177D+01 -0.801769D+00
      2   0.763156D+00  0.427420D+01  0.525177D+01 -0.446735D+01  0.728293D+00
      3   0.427420D+01 -0.281292D+01 -0.801769D+00  0.728293D+00 -0.447260D+00
               211           212           213           214           215 
      1  -0.211031D+00  0.277616D+01 -0.725569D+00  0.673519D+00 -0.963422D+00
      2   0.277616D+01  0.106094D+01 -0.508596D+00 -0.963422D+00  0.366961D+00
      3  -0.725569D+00 -0.508596D+00 -0.891186D+00  0.262852D+00  0.698476D+00
               216           217           218           219           220 
      1   0.262852D+00 -0.550914D+00 -0.473836D+01  0.109679D+01 -0.523644D+01
      2   0.698476D+00 -0.473836D+01  0.219237D+01  0.119454D+00 -0.103641D+01
      3  -0.779976D-01  0.109679D+01  0.119454D+00  0.831915D-01  0.482406D+00
               221           222           223           224           225 
      1  -0.103641D+01  0.482406D+00  0.102297D+01  0.442850D+00 -0.220113D+01
      2   0.219811D+01  0.211979D+01  0.442850D+00  0.158817D+01  0.397511D+01
      3   0.211979D+01  0.521023D+01 -0.220113D+01  0.397511D+01 -0.331649D+01
               226           227           228           229           230 
      1  -0.847406D+00 -0.162164D+01  0.447747D+00 -0.482639D+00 -0.134516D+01
      2  -0.162164D+01 -0.241935D+01  0.648992D+00 -0.134516D+01 -0.838034D+01
      3   0.447747D+00  0.648992D+00 -0.391054D+00  0.342699D+00  0.195192D+01
               231           232           233           234           235 
      1   0.342699D+00  0.189895D+00  0.454228D+00  0.150886D-01  0.636156D+01
      2   0.195192D+01  0.454228D+00  0.211991D+01 -0.517994D+00 -0.306156D+01
      3  -0.125916D+01  0.150886D-01 -0.517994D+00  0.335985D+00  0.343459D+00
               236           237           238           239           240 
      1  -0.306156D+01  0.343459D+00 -0.424286D+01  0.445591D+01 -0.969675D+00
      2   0.269892D+01 -0.430597D+00  0.445591D+01 -0.554001D+01  0.937028D+00
      3  -0.430597D+00  0.256745D+00 -0.969675D+00  0.937028D+00 -0.698590D+00
               241           242           243           244           245 
      1   0.548566D+00 -0.979647D+00 -0.315904D+00  0.198056D+01  0.284298D+01
      2  -0.979647D+00  0.114212D+01 -0.183497D+00  0.284298D+01  0.219733D+01
      3  -0.315904D+00 -0.183497D+00  0.210712D+00 -0.779338D+00 -0.615951D+00
               246           247           248           249           250 
      1  -0.779338D+00  0.341909D+01  0.354679D+01 -0.972754D+00 -0.929721D+00
      2  -0.615951D+00  0.354679D+01  0.694218D+01 -0.171076D+01 -0.981792D+00
      3   0.587128D+00 -0.972754D+00 -0.171076D+01  0.125891D+01  0.464769D+00
               251           252           253           254           255 
      1  -0.981792D+00  0.464769D+00 -0.423009D+00 -0.575025D-01 -0.799506D+00
      2  -0.178880D+01  0.418462D+00 -0.575025D-01 -0.573129D+00 -0.418422D-01
      3   0.418462D+00 -0.347672D+00 -0.799506D+00 -0.418422D-01 -0.509608D+00
               256           257           258           259           260 
      1  -0.228444D+01  0.243572D+01  0.125498D+01 -0.335053D+01  0.166049D+01
      2   0.243572D+01 -0.488908D+01 -0.277956D+01  0.166049D+01 -0.301757D+01
      3   0.125498D+01 -0.277956D+01 -0.277385D+01  0.192179D+01 -0.283520D+01
               261           262           263           264           265 
      1   0.192179D+01  0.223853D+00  0.163314D+00  0.108578D+01 -0.585092D+00
      2  -0.283520D+01  0.163314D+00 -0.394088D+00 -0.265385D+00  0.124225D+01
      3  -0.297410D+01  0.108578D+01 -0.265385D+00 -0.409596D-01 -0.104979D+01
               266           267           268           269           270 
      1   0.124225D+01 -0.104979D+01  0.475717D+01 -0.169932D+01  0.334426D+01
      2  -0.165738D+01  0.133934D+01 -0.169932D+01  0.177756D+01 -0.253096D+01
      3   0.133934D+01 -0.220701D+01  0.334426D+01 -0.253096D+01  0.647991D+01
               271           272           273           274           275 
      1   0.147002D+02  0.149377D+01 -0.112528D+01  0.510528D+01  0.144595D+01
      2   0.149377D+01  0.935902D+00 -0.652036D-01  0.144595D+01  0.112466D+01
      3  -0.112528D+01 -0.652036D-01  0.120159D+01 -0.287034D+00 -0.368517D+00
               276           277           278           279 
      1  -0.287034D+00 -0.200843D+01 -0.959619D-01  0.166653D+01
      2  -0.368517D+00 -0.959619D-01 -0.459827D+00 -0.170721D+00
      3   0.350117D+00  0.166653D+01 -0.170721D+00 -0.241168D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.243696D+01  0.248167D+01 -0.657109D+00  0.214088D+01 -0.888312D+00
      2   0.236184D+01  0.942115D+01 -0.157176D+01  0.662310D+01 -0.763530D+01
      3  -0.153787D+02  0.444699D+02 -0.102886D+02  0.193888D+02 -0.302794D+02
                 6             7             8             9            10 
      1  -0.109888D+00 -0.498836D+01  0.836021D+01 -0.182703D+01 -0.210654D+00
      2   0.196300D+01 -0.203706D+02  0.389586D+01  0.509054D-01 -0.261080D+00
      3   0.630927D+01  0.147999D+01  0.338925D+01 -0.658641D+00  0.334839D+02
                11            12            13            14            15 
      1   0.353042D+01 -0.129993D+01 -0.105100D+00  0.928820D+00  0.890344D+00
      2   0.103706D+02 -0.713981D+01  0.508658D+01 -0.644758D+01  0.105091D+01
      3   0.384590D+02 -0.103004D+02  0.704357D+02 -0.346425D+02  0.444917D+01
                16            17            18            19            20 
      1  -0.520010D+01  0.717762D+01 -0.166905D+01 -0.345186D+01 -0.609150D+00
      2  -0.221339D+02  0.345889D+01  0.613570D+00 -0.511633D+01 -0.777132D+01
      3  -0.138458D+02  0.486711D+01 -0.593169D+00  0.140303D+02 -0.403490D+02
                21            22            23            24            25 
      1   0.185034D+00 -0.797949D+00 -0.190801D+00 -0.128649D+01 -0.590054D+01
      2   0.124901D+01 -0.241966D+01  0.295100D+01  0.929567D+00 -0.183142D+02
      3   0.948860D+01 -0.947223D+01  0.609412D+01 -0.235681D+01  0.783742D+01
                26            27            28            29            30 
      1   0.317879D+01 -0.108756D+01 -0.469862D+00  0.147623D+01  0.776038D+00
      2   0.781306D+01 -0.196584D+01 -0.596850D+00  0.294385D+01  0.796618D+00
      3  -0.238495D+01 -0.144251D+01 -0.369623D+02  0.128815D+02 -0.170972D+01
                31            32            33            34            35 
      1   0.505507D+01  0.519973D+01  0.175636D+00  0.443672D+01  0.129736D+02
      2   0.318581D+01 -0.158027D+01  0.112356D+00 -0.132799D+02  0.130653D+01
      3   0.327132D+02 -0.108032D+02 -0.224090D+00 -0.481258D+01 -0.122942D+01
                36            37            38            39            40 
      1  -0.269181D+01 -0.185348D+00  0.917357D+00  0.748883D+01  0.283562D+01
      2   0.458357D+00 -0.461432D+01  0.154984D+01  0.173781D+01 -0.232822D+01
      3  -0.374299D+01 -0.185316D+02  0.541731D+01 -0.166659D+01  0.939306D+01
                41            42            43            44            45 
      1  -0.493818D+00 -0.184444D+01  0.177077D+02  0.431027D+01 -0.172083D+01
      2  -0.298817D+01 -0.135081D+01 -0.755122D+01 -0.749921D+01  0.207743D+01
      3  -0.123524D+01 -0.107580D+01 -0.275689D+01 -0.127450D+00 -0.700512D+01
                46            47            48            49            50 
      1   0.355439D+00 -0.313706D+01 -0.629280D+01 -0.284757D+01 -0.410155D+00
      2   0.677976D+01 -0.794236D+01  0.168015D+01 -0.610307D+01  0.740414D+01
      3   0.369763D+02 -0.330294D+02  0.686523D+01 -0.749260D+01  0.272535D+02
                51            52            53            54            55 
      1  -0.342952D+01 -0.898397D+01 -0.501322D+01  0.413924D+01  0.639346D+00
      2  -0.146032D+01 -0.155375D+02 -0.275160D+00  0.215627D+01  0.731266D+01
      3  -0.464822D+01  0.444026D+01 -0.341259D+01  0.577608D+01  0.348140D+02
                56            57            58            59            60 
      1  -0.449051D+01 -0.480831D+01 -0.148800D+01  0.569748D+00 -0.236510D+01
      2  -0.937759D+01 -0.440923D+01 -0.679336D+01  0.677850D+01 -0.251690D+01
      3  -0.336183D+02  0.881659D+01 -0.583714D+01  0.348896D+02 -0.502460D+01
                61            62            63            64            65 
      1  -0.763790D+01 -0.249320D+01  0.212777D+01 -0.311551D+00 -0.554044D+00
      2  -0.211578D+02 -0.309933D+01  0.582281D+01  0.829081D+00  0.648858D+00
      3   0.603314D+01 -0.318411D+01  0.110065D+02  0.696660D+00 -0.376234D+00
                66            67            68            69            70 
      1  -0.127921D+01 -0.827551D+00 -0.160319D+01 -0.284171D+01 -0.882320D+00
      2   0.367208D+00  0.105673D+01 -0.513290D+00  0.178603D+01 -0.230488D+01
      3   0.140236D+00  0.315470D+01 -0.564902D+01  0.132254D+01 -0.878456D-01
                71            72            73            74            75 
      1   0.247285D+01  0.342411D+00 -0.342376D+00  0.305555D+00  0.236204D+01
      2  -0.823065D+00  0.251353D-01 -0.152435D+01  0.107982D+00  0.182950D+01
      3   0.136846D+01  0.382229D+00 -0.993731D+01  0.150589D+01 -0.201477D+00
                76            77            78            79            80 
      1  -0.127761D+01  0.379347D+00 -0.365252D+01 -0.304800D+01  0.123208D+01
      2  -0.441476D+00  0.365287D+00 -0.248774D+01 -0.219586D+01 -0.989472D-01
      3   0.410038D+01  0.744910D+00  0.734082D+00  0.427062D+00 -0.174473D+00
                81            82            83            84            85 
      1   0.685651D+00  0.643611D+00  0.388426D+00 -0.177096D+01  0.627348D+00
      2   0.836718D+00  0.121877D+01  0.662992D+00  0.656749D+00  0.960264D+00
      3   0.123085D+01  0.598044D+01  0.288472D+01 -0.123609D+01  0.520384D+01
                86            87            88            89            90 
      1   0.128817D+01 -0.517085D+01  0.114984D+01  0.235953D+01  0.589305D+00
      2   0.111418D+01  0.953952D+00 -0.121543D+01  0.482249D+00 -0.683266D+00
      3   0.370018D+01 -0.146608D+01 -0.127238D+01 -0.163549D+01 -0.464570D+00
                91            92            93            94            95 
      1   0.271150D+01  0.918037D+00 -0.163283D+01  0.584914D+01  0.403910D+00
      2  -0.445873D+01 -0.188290D+01 -0.652570D+01 -0.187250D+01 -0.104915D+02
      3   0.119571D+02  0.127129D+01  0.195879D+01  0.228418D+02 -0.140977D+02
                96            97            98            99           100 
      1  -0.228707D+01 -0.190714D+01  0.526309D+01  0.115752D+01  0.359082D+01
      2  -0.180265D+01 -0.337542D+02  0.851735D+00  0.633391D+01 -0.105362D+02
      3   0.102284D+02 -0.103455D+01  0.133281D+02  0.734389D+01  0.527780D+01
               101           102           103           104           105 
      1  -0.665587D+01  0.959224D+00 -0.266711D+01  0.559635D+00 -0.120561D+02
      2  -0.914044D+00  0.170298D+02 -0.278408D+01  0.195174D+02  0.329365D+01
      3  -0.146485D+02 -0.159689D+00 -0.878792D+01  0.176259D+01 -0.162920D+02
               106           107           108           109           110 
      1   0.318927D+01 -0.646621D+01 -0.378136D+01 -0.371526D+01  0.216979D+01
      2   0.184284D+02 -0.186761D+00 -0.741571D+01  0.107352D+02  0.624263D+01
      3   0.709797D+01 -0.152863D+02 -0.526122D+01 -0.758249D+01  0.635556D+01
               111           112           113           114           115 
      1   0.979221D+01 -0.882245D+01 -0.752649D+01 -0.532397D+01  0.921808D+01
      2   0.469938D+01  0.721808D+01  0.518091D+01 -0.920591D+01  0.562457D+01
      3  -0.836641D+01  0.634370D+01  0.176707D+02 -0.427127D+01 -0.151787D+02
               116           117           118           119           120 
      1   0.182096D+01  0.553242D+01  0.135119D+01 -0.942438D+00  0.112697D+01
      2  -0.268460D+01  0.317449D+01  0.398344D+01 -0.141258D+01  0.567009D+01
      3  -0.959848D+01 -0.379804D+01  0.917813D+01 -0.717489D+01  0.138147D+00
               121           122           123           124           125 
      1  -0.115907D+01  0.170832D+01 -0.282504D+01  0.983659D+00 -0.169345D+00
      2  -0.164332D+01  0.535487D+01 -0.545548D+01  0.343998D+01 -0.385862D+01
      3  -0.797606D+00  0.179934D+02 -0.470664D+01 -0.105091D+01 -0.623854D+01
               126           127           128           129           130 
      1   0.752207D+00 -0.259226D+01  0.334497D+01 -0.864622D+00  0.145835D+01
      2   0.259808D+01 -0.419816D+01  0.383449D+01 -0.606133D+01  0.370832D+01
      3   0.264906D+01 -0.496737D+01  0.458902D+01 -0.218940D+01  0.381482D+01
               131           132           133           134           135 
      1  -0.902033D+01  0.347498D+01 -0.383369D+00  0.535139D+01 -0.287741D+01
      2  -0.101722D+02  0.100259D+02 -0.300676D+01  0.507986D+01 -0.876472D+01
      3  -0.135508D+02  0.901443D+01 -0.240194D+00  0.615392D+01 -0.531618D+01
               136           137           138           139           140 
      1  -0.254884D+01 -0.274993D+01  0.708772D+00 -0.232161D+01 -0.108337D+01
      2   0.980725D+01  0.802657D+00  0.776917D+01  0.858227D+00 -0.686717D+00
      3  -0.730688D+01 -0.645328D+01  0.111359D+01 -0.388146D+01 -0.129243D+01
               141           142           143           144           145 
      1   0.386852D+00  0.890273D-01  0.145505D+01 -0.395243D+00  0.165515D+01
      2   0.112972D+01  0.102669D+01  0.102346D+01  0.538482D+00 -0.391720D+01
      3   0.223245D+01 -0.206221D+00  0.278888D+01 -0.139087D+01  0.312526D+01
               146           147           148           149           150 
      1   0.308688D+01  0.155342D+00  0.172629D+01  0.787916D+01  0.265756D+01
      2  -0.398792D+01 -0.645835D+01 -0.242561D+01 -0.126036D+02 -0.130244D+02
      3   0.447965D+01  0.251741D+01  0.365298D+01  0.142332D+02  0.106157D+02
               151           152           153           154           155 
      1  -0.365677D+00  0.533760D+01  0.260078D+01  0.386265D+01  0.334584D-01
      2  -0.354107D+01 -0.880691D+01 -0.136248D+02 -0.113434D+02 -0.220868D+01
      3  -0.332395D+00  0.811442D+01  0.821471D+01 -0.748695D+01 -0.197620D+02
               156           157           158           159           160 
      1  -0.685088D+01  0.615359D+01  0.471302D+01 -0.503609D+01 -0.408409D+01
      2   0.175669D+02 -0.235017D+01 -0.556539D+01  0.119418D+02  0.589204D+01
      3   0.206186D+00 -0.175973D+02 -0.268805D+02  0.199188D+01  0.404955D+01
               161           162           163           164           165 
      1   0.776348D+00  0.255402D+01  0.551926D+01  0.282999D+01 -0.327022D+01
      2   0.438200D+01 -0.105450D+02 -0.105019D+02 -0.599422D+01  0.213231D+01
      3   0.642876D+01 -0.304039D+01 -0.811297D+01 -0.419290D+01  0.184787D+01
               166           167           168           169           170 
      1   0.831616D+01  0.543301D+01  0.528687D+00 -0.177302D+01  0.609109D+01
      2  -0.100818D+02  0.431716D+01  0.891022D+01 -0.185484D+01  0.486287D+01
      3  -0.124277D+01 -0.624996D+01 -0.947582D+01  0.471935D+01 -0.239381D+01
               171           172           173           174           175 
      1  -0.441734D+01 -0.815179D+01 -0.375053D+01  0.119289D+01 -0.984172D+01
      2   0.216299D+02  0.194057D+02  0.459588D+01 -0.670535D+01  0.998711D+01
      3  -0.500182D+01  0.219282D+01  0.291600D+01  0.247422D+01  0.943294D+01
               176           177           178           179           180 
      1  -0.413321D+01 -0.108919D+01  0.307093D+00  0.309289D+00 -0.140407D+01
      2   0.423117D+01 -0.469313D+01 -0.302361D+01 -0.116212D+01  0.601134D+01
      3   0.177815D+01  0.108408D+01  0.267987D+01  0.118028D+01  0.625047D+00
               181           182           183           184           185 
      1   0.347002D+00  0.373827D+01  0.569607D+01  0.255663D+01  0.693970D+00
      2  -0.571433D+01  0.166572D+01  0.776923D+01 -0.386852D+01 -0.638884D+01
      3  -0.213297D+02  0.380731D+01 -0.193096D+01 -0.197370D+02 -0.776330D+01
               186           187           188           189           190 
      1  -0.247360D+01  0.113692D+02  0.450280D+01 -0.229421D+01 -0.129271D+01
      2  -0.266519D+01 -0.415394D+01 -0.988715D+01  0.280852D+01 -0.338493D+01
      3   0.435208D+01  0.678572D+01  0.434610D+01 -0.954316D+00  0.110833D+02
               191           192           193           194           195 
      1   0.286271D+01 -0.296471D+01  0.247221D+01  0.161063D+01  0.299972D+01
      2   0.575970D+01  0.835899D+00  0.105311D+02 -0.143308D+01 -0.914862D+00
      3   0.158742D+02 -0.453878D+01  0.378728D+02 -0.577950D+01  0.132214D+00
               196           197           198           199           200 
      1  -0.641351D+00  0.144733D+02 -0.420778D+01 -0.548266D+00 -0.310259D+01
      2   0.436670D+00  0.151829D+01 -0.521336D+00 -0.355503D+01 -0.683464D+01
      3  -0.103655D+02 -0.332013D-01  0.492156D+01 -0.364011D+02 -0.277419D+02
               201           202           203           204           205 
      1   0.104279D+01 -0.256018D+01  0.172200D+01 -0.375916D+01 -0.774651D+01
      2   0.479563D+01 -0.424942D+01  0.870526D+01  0.270213D+01 -0.146018D+02
      3   0.761446D+01  0.105544D+02  0.829790D+01 -0.596001D+01  0.356130D+01
               206           207           208           209           210 
      1   0.278650D+01  0.760730D+00  0.118644D+01 -0.249405D+01  0.368132D+01
      2   0.166491D+02 -0.701507D+01  0.162572D+01 -0.713666D+01  0.141119D+02
      3  -0.709848D+01 -0.756072D+01 -0.244961D+01 -0.397225D+02  0.631360D+01
               211           212           213           214           215 
      1   0.305044D+00 -0.188821D+01 -0.480897D+01  0.114299D+01 -0.145764D+01
      2  -0.244139D+01 -0.278760D+01 -0.559215D+01 -0.554957D+01  0.338762D+01
      3  -0.252407D+01 -0.580462D+01  0.263234D+01  0.211838D+01  0.274598D+01
               216           217           218           219           220 
      1   0.126994D+01  0.718324D+00  0.102811D+01 -0.922245D+00 -0.996661D+00
      2  -0.454404D+00  0.796013D+01  0.343232D+01 -0.118700D+01  0.425505D+01
      3  -0.391892D+01  0.370667D+02  0.279419D+01 -0.491458D+01  0.180547D+02
               221           222           223           224           225 
      1   0.261183D+01  0.670475D+01 -0.110139D+02  0.885439D+01 -0.437986D+01
      2   0.939643D+01  0.334302D+02 -0.166971D+02  0.256419D+02 -0.212646D+02
      3  -0.294243D+02 -0.108768D+02 -0.479730D+01 -0.813382D+01 -0.256550D+02
               226           227           228           229           230 
      1   0.138389D+00 -0.262214D+00 -0.143868D+01  0.175015D-01 -0.778435D+00
      2   0.206179D+01  0.173098D+01 -0.137589D+00  0.146272D+01  0.428939D+01
      3   0.775387D+01  0.544235D+01 -0.186696D+01  0.583913D+01  0.164029D+02
               231           232           233           234           235 
      1  -0.402799D+01  0.711614D+00  0.299043D+01  0.269715D+00 -0.942125D+00
      2  -0.122671D+01 -0.644910D+00 -0.985974D+00  0.384258D-01 -0.248098D+01
      3  -0.429287D+01 -0.195862D+01 -0.449853D+01  0.475231D+00 -0.565379D+01
               236           237           238           239           240 
      1   0.639106D+00  0.140375D+01 -0.314077D+00 -0.576068D+00 -0.281681D+01
      2  -0.142150D+00  0.134422D+01 -0.141252D+01  0.169849D+01 -0.302235D+01
      3  -0.380138D+01  0.929701D+00 -0.496555D+01  0.126551D+02 -0.167973D+01
               241           242           243           244           245 
      1  -0.255623D+01  0.144648D+01  0.488035D+00  0.114153D+00 -0.131089D+00
      2  -0.249409D+01 -0.117865D+00  0.106357D+01 -0.131647D+01 -0.100942D+01
      3   0.243614D+01 -0.266974D+01  0.127843D+01 -0.398130D+01 -0.397025D+01
               246           247           248           249           250 
      1  -0.148448D+01  0.200993D+00 -0.325787D+00 -0.355509D+01 -0.925388D-01
      2   0.221472D+01 -0.139767D+01 -0.402610D+01  0.426529D+01 -0.168708D+01
      3   0.880695D+00 -0.225300D+01 -0.168999D+02  0.382493D+01  0.120989D+01
               251           252           253           254           255 
      1   0.194815D+01  0.529449D+00  0.153308D+00 -0.196155D+00 -0.114398D+01
      2   0.530870D+00 -0.780385D+00 -0.568615D+01 -0.413435D+00 -0.216618D+01
      3   0.439465D+01 -0.340633D+00  0.214794D+01  0.261428D+01  0.134264D+01
               256           257           258           259           260 
      1   0.126860D+01 -0.162368D+01 -0.495868D+01  0.250120D+01 -0.116080D+01
      2   0.465955D+01 -0.139283D+02 -0.161812D+02  0.761002D+01 -0.160204D+02
      3  -0.107493D+02  0.326616D+02  0.153247D+02 -0.575296D+01  0.185701D+02
               261           262           263           264           265 
      1  -0.441491D+01  0.347695D+00 -0.262967D+00 -0.456375D+00 -0.800463D+00
      2  -0.159823D+02  0.754877D+01 -0.166315D+01  0.188351D+00 -0.531029D+01
      3   0.163912D+02 -0.175203D+00  0.851661D+00  0.643362D+00 -0.641447D+01
               266           267           268           269           270 
      1   0.956574D+00 -0.326903D+01  0.397338D+01  0.217671D-01  0.772437D+01
      2   0.800559D+01 -0.134127D+02  0.146463D+02 -0.156706D+02  0.382085D+02
      3   0.132970D+02 -0.832408D+01  0.654663D+01 -0.128014D+02  0.155892D+02
               271           272           273           274           275 
      1  -0.100833D+01 -0.412402D+00  0.566053D+00 -0.195342D+00 -0.490575D+00
      2  -0.638473D+01 -0.704074D+00  0.972529D+01 -0.166960D+01 -0.206179D+01
      3  -0.207150D+02 -0.107107D+02  0.170516D+01 -0.113184D+02 -0.787446D+01
               276           277           278           279 
      1  -0.638918D+00  0.163294D+01  0.204330D+00  0.180669D-01
      2   0.251776D+01  0.823939D+01 -0.915297D+00 -0.146762D+01
      3   0.246508D+01  0.227017D+01  0.322487D+01  0.261045D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.899907D+02  0.543915D+02 -0.917192D+01 -0.809284D+02 -0.384889D+00
      2   0.496049D+02 -0.352510D+02  0.619427D+01  0.458243D+02  0.246069D+01
      3   0.403857D+02 -0.191405D+02  0.297765D+01  0.351041D+02 -0.207580D+01
      4   0.564743D+02 -0.593659D+01 -0.142005D+01 -0.700696D+01 -0.316385D+01
      5  -0.187705D+02  0.576801D+00  0.112957D+01 -0.269491D+01  0.307819D+01
      6   0.909726D+00  0.191691D+01  0.852914D+00  0.229037D+01 -0.272645D+01
                 6             7             8             9            10 
      1   0.218638D+01  0.251827D+02 -0.582248D+01 -0.103190D+02  0.993251D+02
      2  -0.367665D+01 -0.125249D+02  0.286020D+01 -0.992791D+00 -0.470007D+02
      3   0.149027D+01 -0.126578D+02  0.296228D+01  0.113118D+02 -0.523244D+02
      4   0.170268D+01 -0.175444D+01  0.131679D+01  0.100444D+01 -0.228898D+02
      5   0.296807D+00  0.232330D+01 -0.185137D+01  0.398988D+00  0.867182D+01
      6   0.708612D+00  0.161366D+01  0.360640D+01  0.187705D+01 -0.671810D+01
                11            12            13            14            15 
      1  -0.110100D+02 -0.459545D+01  0.827004D+02 -0.331534D+02  0.137906D+01
      2   0.592123D+01  0.172291D+01 -0.403797D+02  0.276935D+02 -0.555482D+01
      3   0.508876D+01  0.287254D+01 -0.423207D+02  0.545997D+01  0.417576D+01
      4   0.497978D+01 -0.198735D+01 -0.174402D+02  0.135561D+02 -0.184065D+01
      5  -0.698330D+01 -0.798364D+01  0.857003D+01 -0.262224D+01  0.731130D-01
      6   0.232445D+01  0.123679D+01 -0.227781D+01 -0.341523D+01 -0.867876D+00
                16            17            18            19            20 
      1  -0.269688D+02  0.698763D+01 -0.853047D+01  0.565903D+02 -0.599005D+02
      2   0.141038D+02 -0.544246D+01  0.184571D+00 -0.328921D+02  0.446843D+02
      3   0.128651D+02 -0.154518D+01  0.834590D+01 -0.236983D+02  0.152162D+02
      4   0.646098D+01 -0.220050D+01  0.337969D+01 -0.523944D+02  0.418035D+01
      5  -0.259523D+01  0.371083D+01  0.458335D+00  0.205601D+02 -0.874675D+00
      6   0.440003D+01  0.554211D+01  0.159377D+01 -0.116510D+01 -0.231755D+01
                21            22            23            24            25 
      1   0.111028D+02  0.570046D+01  0.340180D+02 -0.803698D+01 -0.446212D+01
      2  -0.825462D+01 -0.143691D+02 -0.346366D+02  0.912372D+01  0.639579D+01
      3  -0.284815D+01  0.866864D+01  0.618551D+00 -0.108674D+01 -0.193367D+01
      4   0.504680D+00  0.234150D+02 -0.534986D+01  0.398429D+01 -0.362236D+01
      5  -0.439581D+01 -0.103643D+02  0.594651D+01  0.635317D+01  0.416574D+01
      6   0.156853D+01  0.860964D+01  0.892065D+01  0.126819D+01  0.143233D+01
                26            27            28            29            30 
      1  -0.390543D+01 -0.606480D+01  0.106684D+01  0.661475D+01  0.124433D+01
      2   0.818620D+01 -0.819293D+01 -0.149517D+02 -0.893559D+01  0.262847D-02
      3  -0.428077D+01  0.142577D+02  0.138848D+02  0.232083D+01 -0.124696D+01
      4   0.612373D+01  0.260402D+01  0.178652D+02  0.116790D+02 -0.558170D-01
      5   0.931133D+01 -0.294874D+01 -0.185826D+02  0.284675D+01  0.958089D+01
      6   0.391139D+01  0.765355D+00  0.102964D+02 -0.953055D-01 -0.293730D+01
                31            32            33            34            35 
      1   0.241377D+02 -0.743321D+02  0.142177D+02 -0.560403D+01  0.166283D+02
      2  -0.176431D+02  0.704941D+02 -0.181968D+02  0.173781D+01 -0.171240D+02
      3  -0.649456D+01  0.383801D+01  0.397907D+01  0.386622D+01  0.495700D+00
      4  -0.414696D+02  0.266228D+01  0.276988D+01  0.212513D+02  0.127578D+01
      5   0.163637D+02  0.161761D+01 -0.141372D+01  0.317494D+02 -0.579061D+01
      6   0.217660D+01 -0.105912D+02  0.904921D-01 -0.562547D+01  0.747833D+01
                36            37            38            39            40 
      1  -0.261070D+01 -0.772057D+01  0.765096D+02 -0.181699D+02 -0.197793D+02
      2  -0.455144D+01  0.134628D+01 -0.645862D+02  0.981455D+01  0.211495D+02
      3   0.716214D+01  0.637429D+01 -0.119234D+02  0.835538D+01 -0.137024D+01
      4   0.252658D+01  0.289134D+01 -0.193335D+02  0.348288D+01  0.132995D+02
      5  -0.151627D+00  0.280670D+00 -0.743752D+00  0.541094D+01  0.566717D+01
      6   0.509995D+01 -0.349295D+01  0.686037D+01 -0.154907D+02 -0.139371D+02
                41            42            43            44            45 
      1   0.357822D+02 -0.122619D+02  0.708756D+01 -0.176566D+02 -0.104623D+02
      2  -0.369739D+02  0.109972D+02 -0.139718D+02  0.201162D+02  0.100612D+01
      3   0.119165D+01  0.126475D+01  0.688426D+01 -0.245961D+01  0.945618D+01
      4   0.779755D+01 -0.778359D+01  0.277121D+01 -0.592056D+01 -0.937544D+01
      5  -0.880526D+01 -0.516189D+01  0.208057D+02 -0.659347D+01  0.471548D+01
      6   0.116475D+02  0.253795D+01 -0.198407D+02  0.127738D+02  0.684810D+00
                46            47            48            49            50 
      1   0.106448D+02 -0.554156D+02  0.106633D+02  0.176335D+02 -0.235678D+01
      2  -0.810281D+01  0.485797D+02 -0.458896D+01 -0.154464D+02 -0.363529D+01
      3  -0.254198D+01  0.683595D+01 -0.607437D+01 -0.218713D+01  0.599207D+01
      4   0.911416D+01 -0.563849D+01  0.191628D+01  0.446118D+00 -0.969354D+01
      5  -0.114761D+01  0.608098D+01 -0.287960D+01  0.695571D+00  0.233573D+01
      6   0.461432D+01 -0.210147D+01  0.118556D+02  0.382536D+01  0.140106D+02
                51            52            53            54            55 
      1  -0.712399D+01 -0.556525D+01 -0.312800D+01 -0.241919D+02  0.111824D+01
      2   0.973938D+01  0.730035D+01  0.138648D+02  0.101457D+02 -0.313251D+01
      3  -0.261539D+01 -0.173510D+01 -0.107368D+02  0.140461D+02  0.201427D+01
      4   0.511095D+01  0.186574D+01  0.689418D+01  0.590783D+01 -0.390936D+02
      5   0.444174D+00  0.500329D+01  0.612147D+00 -0.663332D-02  0.742392D+01
      6   0.511313D+01  0.408447D+01  0.232833D+02 -0.868356D+01  0.345508D+01
                56            57            58            59            60 
      1  -0.583718D+02  0.117277D+02  0.196764D+01  0.222750D+02 -0.111283D+02
      2   0.383180D+02 -0.302072D+01 -0.499078D+01 -0.183565D+02  0.101842D+02
      3   0.200538D+02 -0.870703D+01  0.302314D+01 -0.391856D+01  0.944141D+00
      4  -0.299497D+02  0.656649D+01  0.323886D+02 -0.179755D+02  0.830119D-01
      5   0.772695D+01 -0.152305D+02 -0.853855D+01  0.634619D+00 -0.908635D+00
      6  -0.668833D+00  0.989474D+01  0.255580D+01  0.110535D+02  0.339762D+01
                61            62            63            64            65 
      1  -0.176786D+01 -0.734491D+01 -0.214399D+02  0.277987D+01 -0.877653D+00
      2   0.289541D+01  0.144268D+02  0.347960D+01 -0.730297D+00  0.176051D+01
      3  -0.112754D+01 -0.708185D+01  0.179603D+02 -0.204957D+01 -0.882855D+00
      4  -0.581391D+01  0.253692D+01 -0.984196D+01  0.698412D+01  0.912490D+01
      5   0.904307D+00 -0.119254D+02  0.897849D+01 -0.212406D+01 -0.228462D+01
      6   0.115635D+01  0.164415D+02 -0.570781D+01 -0.143420D+01 -0.130449D+01
                66            67            68            69            70 
      1   0.232676D+00 -0.400439D+01 -0.158137D+02  0.422719D+01  0.684856D+00
      2   0.164415D+00  0.534789D+01  0.173677D+02 -0.192752D+01 -0.821877D-01
      3  -0.397091D+00 -0.134350D+01 -0.155396D+01 -0.229967D+01 -0.602668D+00
      4  -0.173556D+01  0.118003D+02  0.167569D+02 -0.360979D+01 -0.286707D+01
      5   0.278955D+01 -0.340966D+01 -0.378443D+01  0.367545D+01  0.189333D+01
      6   0.112624D+01 -0.284381D+01 -0.670968D+01  0.532263D+01  0.226246D+01
                71            72            73            74            75 
      1   0.293816D+01 -0.346482D+01  0.225858D+01  0.534459D+01 -0.101999D+01
      2  -0.255004D+01  0.240921D+01  0.981746D+01 -0.157499D+02  0.192513D+01
      3  -0.388117D+00  0.105561D+01 -0.120760D+02  0.104053D+02 -0.905146D+00
      4  -0.416437D+01  0.231801D+01 -0.280705D+02  0.248250D+02 -0.374752D+01
      5   0.749924D+00 -0.154366D+01  0.409427D+01 -0.386938D+01  0.403139D+01
      6   0.324202D+01 -0.260489D+01 -0.265795D+01  0.314645D+01 -0.350372D+01
                76            77            78            79            80 
      1   0.995973D+01 -0.212641D+02  0.376365D+01 -0.263804D+01  0.440548D+01
      2  -0.217695D+02  0.377801D+02 -0.474635D+01  0.559709D+01 -0.677330D+01
      3   0.118098D+02 -0.165160D+02  0.982707D+00 -0.295905D+01  0.236782D+01
      4   0.276061D+02 -0.343087D+02  0.559004D+01 -0.511478D+01  0.601875D+01
      5  -0.532228D+01  0.566870D+01 -0.438142D+01  0.405206D+00 -0.262172D+01
      6   0.597942D+01 -0.711795D+01  0.669522D+01  0.102291D+01  0.339634D+01
                81            82            83            84            85 
      1  -0.946183D+00 -0.635223D+01 -0.113184D+02  0.327014D+01 -0.845164D+01
      2   0.207452D+01  0.942845D+01  0.166272D+02 -0.343548D+01  0.112862D+02
      3  -0.112834D+01 -0.307622D+01 -0.530881D+01  0.165333D+00 -0.283451D+01
      4  -0.258887D+01  0.840268D+01  0.165409D+02 -0.370051D+01  0.977665D+01
      5   0.154810D+01 -0.140590D+01 -0.246221D+01  0.281479D+01 -0.168274D+01
      6  -0.239657D+01 -0.307130D+01 -0.506375D+01  0.348664D+01 -0.328701D+01
                86            87            88            89            90 
      1  -0.483569D+02  0.119751D+02  0.242666D+01  0.122811D+02 -0.370147D+01
      2   0.661768D+02 -0.129835D+02 -0.347012D+01 -0.156517D+02  0.409825D+01
      3  -0.178200D+02  0.100836D+01  0.104346D+01  0.337064D+01 -0.396783D+00
      4   0.219598D+02 -0.476941D+01 -0.317354D+01 -0.513815D+01  0.257952D+01
      5  -0.234481D+01  0.186467D+01  0.850358D+00  0.240303D+01 -0.135832D+01
      6  -0.172599D+02  0.111632D+02  0.461066D+00  0.604363D+01 -0.386625D+01
                91            92            93            94            95 
      1   0.218006D+00  0.545060D+01 -0.143807D+02  0.698514D+00 -0.814506D+01
      2   0.456760D+01 -0.251337D+00  0.605780D+00  0.602288D+01 -0.308955D+01
      3  -0.478560D+01 -0.519927D+01  0.137750D+02 -0.672140D+01  0.112346D+02
      4  -0.455667D+01 -0.179103D+02 -0.294046D+01 -0.210808D+02  0.285363D+02
      5   0.898637D+00 -0.462925D+01 -0.200941D+02  0.888148D+00 -0.174816D+02
      6  -0.379381D+01  0.851443D+00  0.850380D+00 -0.449531D+01  0.380073D+01
                96            97            98            99           100 
      1  -0.169308D+01  0.100073D+01 -0.285258D+01 -0.184692D+02 -0.739826D+02
      2   0.151314D+01 -0.160907D+02  0.752340D+01  0.189342D+02  0.427182D+02
      3   0.179939D+00  0.150899D+02 -0.467081D+01 -0.465016D+00  0.312644D+02
      4  -0.199657D+02 -0.610483D+01 -0.203269D+02 -0.397239D+01  0.253838D+01
      5  -0.430413D+01 -0.611155D+02  0.273001D+01  0.203520D+02  0.397131D+02
      6   0.352667D+01  0.234926D+01 -0.196947D+01 -0.174744D+01  0.183647D+00
               101           102           103           104           105 
      1  -0.132668D+01  0.289106D+02 -0.865902D+01  0.333933D+02  0.624694D+01
      2   0.316434D+00 -0.819865D+01  0.200286D+01 -0.718989D+01 -0.177873D+01
      3   0.101025D+01 -0.207119D+02  0.665616D+01 -0.262034D+02 -0.446821D+01
      4   0.206164D+02  0.800251D+00  0.195973D+02 -0.340303D+01  0.250650D+02
      5   0.251765D+01  0.984182D+01  0.441748D+01  0.162730D+02  0.438674D+01
      6  -0.123572D+02 -0.136435D+01 -0.706028D+01 -0.205002D+01 -0.202195D+02
               106           107           108           109           110 
      1   0.583587D+01  0.470973D+01  0.170542D+02 -0.607071D+02 -0.239563D+02
      2   0.153349D+02 -0.387625D+01 -0.229267D+02  0.200839D+02  0.147886D+01
      3  -0.211708D+02 -0.833482D+00  0.587242D+01  0.406232D+02  0.224774D+02
      4  -0.463530D+00  0.215001D+02  0.175166D+01 -0.437712D+02 -0.266907D+02
      5   0.388299D+02 -0.909111D+00 -0.320520D+02  0.942855D+01  0.130906D+01
      6  -0.258011D+01 -0.147291D+02 -0.387352D+01  0.850202D+00  0.381069D+01
               111           112           113           114           115 
      1   0.529377D+01 -0.332454D+02 -0.153288D+02  0.110067D+02  0.339638D+02
      2  -0.352857D+01  0.704019D+01  0.192316D+01  0.982550D-01 -0.123582D+02
      3  -0.176520D+01  0.262052D+02  0.134056D+02 -0.111050D+02 -0.216056D+02
      4   0.438738D+01 -0.157998D+02 -0.251395D+02  0.124927D+02  0.205171D+02
      5   0.763496D+00  0.100170D+01  0.932702D+01 -0.521486D+01  0.190699D+02
      6  -0.407901D+01  0.462210D+01 -0.168356D+01 -0.855941D+00  0.308386D+01
               116           117           118           119           120 
      1   0.858314D+01  0.197473D+02  0.142971D+02 -0.117352D+02  0.647825D+01
      2  -0.783349D+00 -0.167019D+01 -0.157139D+01  0.209492D+01 -0.174537D+01
      3  -0.779979D+01 -0.180771D+02 -0.127257D+02  0.964031D+01 -0.473289D+01
      4   0.203361D+02  0.454119D+01 -0.234336D+02  0.226575D+02 -0.223589D+01
      5   0.215710D+01  0.717539D+00  0.814516D+01 -0.177098D+01  0.112529D+02
      6  -0.939500D+00 -0.237363D+01 -0.213346D+01  0.118545D+01 -0.109037D+01
               121           122           123           124           125 
      1  -0.195436D+02  0.386018D+01 -0.118436D+01  0.873389D+01  0.436073D+00
      2   0.529436D+01  0.116617D+02 -0.259731D+01 -0.318425D+01 -0.349953D+01
      3   0.142493D+02 -0.155218D+02  0.378167D+01 -0.554964D+01  0.306345D+01
      4   0.231800D+02 -0.432321D+02  0.102159D+02 -0.409812D+01  0.138614D+02
      5  -0.273050D+01  0.935197D+01 -0.108020D+02  0.135655D+02 -0.878273D+01
      6   0.126741D+01 -0.354534D+01  0.429871D+01 -0.252203D+01  0.611211D+01
               126           127           128           129           130 
      1   0.400117D+01 -0.183181D+01  0.784221D+01 -0.109163D+02  0.112192D+02
      2  -0.209923D+01  0.559806D+00 -0.302670D+01 -0.542175D-01 -0.682046D+01
      3  -0.190193D+01  0.127200D+01 -0.481551D+01  0.109706D+02 -0.439876D+01
      4  -0.945415D+01  0.362856D+01 -0.647134D+01  0.266602D+01 -0.434079D+00
      5   0.556534D+01 -0.417649D+00 -0.111467D+00 -0.606645D+01 -0.833972D+01
      6  -0.322614D+01 -0.352719D+01  0.595251D+01 -0.306992D+01  0.138194D+01
               131           132           133           134           135 
      1  -0.170079D+02  0.111651D+02 -0.533842D+01  0.665348D+01 -0.139003D+02
      2   0.557679D+01  0.328628D+01  0.135781D+01  0.163948D+01 -0.189143D+01
      3   0.114311D+02 -0.144514D+02  0.398061D+01 -0.829296D+01  0.157918D+02
      4   0.225265D+02 -0.147938D+02 -0.903023D-01 -0.110133D+02  0.846162D+01
      5  -0.105588D+02  0.162009D+02  0.211661D+01  0.630096D+01 -0.103784D+02
      6  -0.166343D+02  0.134369D+02 -0.293833D+00  0.109121D+02 -0.796980D+01
               136           137           138           139           140 
      1   0.110681D+03 -0.148315D+01 -0.204315D+02  0.297757D+01  0.543939D+01
      2  -0.668964D+02  0.654557D+00  0.192651D+02 -0.269121D+01 -0.378570D+01
      3  -0.437841D+02  0.828592D+00  0.116641D+01 -0.286367D+00 -0.165369D+01
      4  -0.616752D+01  0.115094D+02  0.251546D+01  0.130937D+02  0.448458D+00
      5  -0.647010D+02  0.194064D+01  0.308284D+02 -0.246967D+01 -0.621231D+01
      6   0.285508D+01 -0.406218D+01 -0.161521D+01 -0.386504D+01 -0.107207D+00
               141           142           143           144           145 
      1  -0.897030D+00 -0.897268D+01 -0.132136D+01  0.851155D+01  0.343491D+00
      2   0.144831D+01  0.937742D+01  0.551119D+00 -0.727057D+01 -0.928126D+00
      3  -0.551280D+00 -0.404740D+00  0.770244D+00 -0.124097D+01  0.584635D+00
      4  -0.508065D+01 -0.638995D+00 -0.366963D+01  0.500186D+00 -0.329646D+01
      5   0.215366D+01  0.182210D+02  0.122393D+01 -0.797303D+01 -0.325346D+01
      6   0.401924D+01 -0.148337D+00  0.293895D+01  0.539908D+00  0.380570D+01
               146           147           148           149           150 
      1  -0.911959D+01 -0.129347D+02 -0.857250D+01 -0.203494D+02 -0.159334D+02
      2   0.374199D+01  0.168549D+01  0.580928D+01  0.947534D+01 -0.232988D+00
      3   0.537760D+01  0.112492D+02  0.276323D+01  0.108740D+02  0.161663D+02
      4  -0.495622D+01 -0.271113D+01  0.341474D+01 -0.257822D+02 -0.205130D+02
      5  -0.400025D+00 -0.469310D+01  0.852985D+01 -0.162532D+02 -0.214899D+02
      6   0.656530D+01  0.494517D+01 -0.328250D+00  0.217815D+02  0.199889D+02
               151           152           153           154           155 
      1  -0.530658D+01 -0.113755D+02 -0.199050D+02  0.144408D+03  0.381612D+02
      2   0.258356D+01 -0.576648D-01 -0.242190D+01 -0.603289D+02 -0.889360D+01
      3   0.272302D+01  0.114332D+02  0.223269D+02 -0.840791D+02 -0.292676D+02
      4   0.260496D+01 -0.150911D+02 -0.145750D+02  0.703916D+02  0.468450D+02
      5   0.438118D+01 -0.127063D+02 -0.196759D+02  0.180641D+01  0.289424D+01
      6  -0.303805D+00  0.155308D+02  0.160377D+02 -0.170502D+01 -0.682517D+00
               156           157           158           159           160 
      1  -0.967556D+01  0.480978D+02  0.309491D+02 -0.522825D+01 -0.131763D+02
      2   0.152461D+01 -0.690402D+01  0.529524D+01 -0.148072D+01  0.282138D+01
      3   0.815095D+01 -0.411938D+02 -0.362443D+02  0.670897D+01  0.103549D+02
      4  -0.129047D+01  0.664671D+02  0.620241D+02 -0.873271D+01 -0.928235D+01
      5   0.276614D+02 -0.206871D+01 -0.390670D+01  0.163931D+02  0.282968D+02
      6   0.713479D+01  0.676838D+00  0.698748D+00  0.818706D+01  0.880574D+01
               161           162           163           164           165 
      1  -0.369281D+01  0.160734D+02  0.350410D+02  0.149424D+02  0.100485D+02
      2  -0.241775D+01 -0.793209D+01 -0.205377D+02 -0.461768D+01 -0.792774D+01
      3   0.611057D+01 -0.814128D+01 -0.145033D+02 -0.103248D+02 -0.212077D+01
      4  -0.136640D+02  0.144145D+02  0.282482D+02  0.145387D+02  0.232387D+01
      5   0.127897D+02 -0.130784D+02  0.214398D+02  0.347889D+01  0.159619D+02
      6   0.716800D+01 -0.256726D+01  0.109702D+02  0.190098D+01  0.895084D+00
               166           167           168           169           170 
      1   0.196985D+02 -0.401848D+01 -0.111261D+02 -0.754853D+01 -0.902920D+01
      2  -0.907022D+01  0.388594D+01  0.278930D+01 -0.167302D+01  0.210723D+01
      3  -0.106283D+02  0.132536D+00  0.833677D+01  0.922155D+01  0.692198D+01
      4   0.176279D+02  0.110307D+02  0.112368D+02 -0.436258D+01  0.169107D+01
      5   0.114530D+02  0.129670D+02  0.128988D+02  0.152501D+02  0.658809D+01
      6   0.390081D+01  0.916105D+01  0.128052D+02  0.104002D+01  0.103079D+02
               171           172           173           174           175 
      1  -0.260419D+02 -0.376833D+02 -0.891092D+01  0.963171D+01 -0.211510D+02
      2  -0.141782D+02  0.182400D+02  0.289925D+01  0.233005D+01  0.119026D+02
      3   0.402201D+02  0.194433D+02  0.601167D+01 -0.119618D+02  0.924836D+01
      4   0.465199D+01 -0.246585D+02 -0.109175D+02 -0.165595D+01 -0.170279D+02
      5   0.437872D+02 -0.154894D+02 -0.521660D+01 -0.122806D+02 -0.114266D+02
      6   0.130107D+02 -0.811358D+01 -0.487342D+01 -0.359531D+01 -0.555557D+01
               176           177           178           179           180 
      1  -0.104327D+02  0.313495D+01 -0.710477D+00  0.993611D+00 -0.112232D+02
      2   0.490938D+01  0.317658D+01  0.609432D+01  0.589165D+00  0.220470D+01
      3   0.552333D+01 -0.631153D+01 -0.538385D+01 -0.158278D+01  0.901848D+01
      4  -0.695020D+01  0.603146D+00 -0.679451D+01 -0.638627D+00 -0.514679D+01
      5  -0.633728D+00 -0.967050D+01 -0.750816D+01 -0.217143D+01  0.231355D+01
      6  -0.311129D+01  0.994468D+00 -0.336855D+01  0.150650D+01 -0.181878D+01
               181           182           183           184           185 
      1  -0.473898D+00  0.640774D+02 -0.143459D+02 -0.764090D+02  0.346380D+02
      2  -0.100388D+01 -0.429969D+02  0.376371D+01  0.491620D+02 -0.261773D+02
      3   0.147778D+01 -0.210804D+02  0.105821D+02  0.272470D+02 -0.846070D+01
      4   0.337205D+02  0.367473D+02 -0.905128D+01  0.362643D+02  0.213303D+02
      5  -0.411289D+01 -0.112203D+02  0.194189D+02 -0.105731D+01 -0.136306D+02
      6  -0.299552D+01  0.501126D+01 -0.123366D+02 -0.104755D+02  0.909120D+01
               186           187           188           189           190 
      1  -0.481740D+01  0.210452D+02 -0.143339D+02  0.238931D+01  0.133059D+03
      2   0.476833D+01 -0.216527D+02  0.139790D+02 -0.848853D+01 -0.752930D+02
      3   0.490664D-01  0.607452D+00  0.354875D+00  0.609923D+01 -0.577665D+02
      4  -0.137320D+02 -0.695249D+01 -0.152640D+02 -0.123597D+02 -0.196008D+02
      5  -0.626362D+01  0.282938D+02 -0.137108D+02  0.915745D+01  0.875953D+01
      6   0.409133D+01 -0.137619D+02  0.928004D+01  0.132004D+01  0.203130D+01
               191           192           193           194           195 
      1  -0.423799D+02  0.398591D+01  0.215713D+01 -0.272738D+02  0.126809D+02
      2   0.276082D+02 -0.214964D+01 -0.572168D+01  0.272584D+02 -0.143689D+02
      3   0.147716D+02 -0.183627D+01  0.356454D+01  0.154353D-01  0.168803D+01
      4   0.313683D+02 -0.502843D+01 -0.275789D+02 -0.603702D+02  0.149124D+02
      5  -0.620675D+01  0.685137D+01  0.176807D+02  0.148192D+02 -0.516424D+01
      6   0.906834D-01  0.513183D+01  0.573986D+01 -0.951783D+01 -0.187006D+01
               196           197           198           199           200 
      1  -0.227211D+01  0.146681D+02  0.227275D+02 -0.112223D+03  0.171376D+02
      2   0.279822D+01 -0.118051D+02 -0.200667D+02  0.543776D+02 -0.787179D+01
      3  -0.526107D+00 -0.286300D+01 -0.266085D+01  0.578454D+02 -0.926582D+01
      4   0.203343D+02  0.930046D+01 -0.738537D+01  0.206109D+02 -0.341035D+02
      5   0.477398D+02 -0.136806D+02  0.172956D+01 -0.551680D+01  0.144663D+02
      6  -0.188783D+01  0.729344D+01  0.397569D+01  0.679083D+01 -0.124884D+01
               201           202           203           204           205 
      1   0.200213D+01  0.916419D+02 -0.167349D+02 -0.449088D+01 -0.154117D+02
      2  -0.105523D+01 -0.577919D+02  0.131058D+01  0.615790D+01  0.128636D+02
      3  -0.946898D+00 -0.338500D+02  0.154243D+02 -0.166702D+01  0.254813D+01
      4   0.102663D+02 -0.116504D+02  0.300562D+02  0.317583D+01  0.509263D+01
      5   0.163604D+01  0.382137D+01  0.230922D+01  0.922905D+01  0.566020D+01
      6   0.106290D+00  0.585926D+01  0.112527D+02  0.411031D+01  0.298261D+01
               206           207           208           209           210 
      1   0.151916D+01 -0.156708D+02  0.273103D+01  0.358026D+02 -0.580356D+01
      2   0.680718D+01 -0.178296D+01 -0.321037D+01 -0.223014D+02  0.256919D+01
      3  -0.832634D+01  0.174538D+02  0.479334D+00 -0.135011D+02  0.323437D+01
      4   0.927199D+01  0.243554D+02  0.270132D+02  0.258690D+01  0.379053D+01
      5   0.253099D+02 -0.140030D+02 -0.767070D+01  0.440546D+01  0.241062D+02
      6   0.126010D+02 -0.145773D+01  0.807363D+00 -0.101497D+01 -0.635507D+01
               211           212           213           214           215 
      1   0.100365D+02  0.968550D+01 -0.371086D+01 -0.132606D+01 -0.386390D+01
      2  -0.273723D+01 -0.308754D+01  0.530084D+01  0.194400D+01  0.357545D+01
      3  -0.729931D+01 -0.659796D+01 -0.158998D+01 -0.617941D+00  0.288446D+00
      4   0.330084D+02  0.119791D+02 -0.546729D+01 -0.721930D+01 -0.100067D+00
      5  -0.782253D+01 -0.447597D+01 -0.100114D+02  0.107640D+02  0.503306D+01
      6  -0.115420D+01  0.183422D+01  0.777433D+01  0.229828D+01  0.248142D+01
               216           217           218           219           220 
      1   0.306512D+01 -0.708143D+02 -0.449693D+02  0.152556D+02 -0.562232D+02
      2  -0.214174D+01  0.428760D+02  0.226345D+02 -0.800299D+01  0.281642D+02
      3  -0.923377D+00  0.279383D+02  0.223347D+02 -0.725256D+01  0.280590D+02
      4   0.678482D+01 -0.428399D+02  0.140491D+02  0.160215D+01 -0.143048D+02
      5  -0.244567D+01  0.148918D+02  0.181501D+01 -0.566906D+01  0.695273D+01
      6  -0.283368D+01 -0.152566D+01 -0.981089D+00  0.167249D+01  0.242244D+01
               221           222           223           224           225 
      1   0.114678D+02  0.103288D+02  0.162766D+02  0.784554D+01  0.133473D+01
      2  -0.101912D+02 -0.124834D+02 -0.375338D+01 -0.101072D+02 -0.141924D+01
      3  -0.127661D+01  0.215461D+01 -0.125232D+02  0.226165D+01  0.845151D-01
      4   0.290497D+02  0.221849D+02  0.564482D+01  0.156547D+02  0.415586D+02
      5   0.224496D+02  0.647687D+02 -0.248493D+02  0.453127D+02 -0.399456D+02
      6  -0.866746D+01 -0.183911D+02  0.111912D+02 -0.142409D+02  0.781713D+01
               226           227           228           229           230 
      1  -0.694055D+01 -0.157490D+02  0.449360D+01 -0.760458D+01 -0.439219D+02
      2   0.682645D+01  0.147038D+02 -0.308412D+01  0.715553D+01  0.496688D+02
      3   0.114104D+00  0.104516D+01 -0.140948D+01  0.449056D+00 -0.574691D+01
      4   0.188272D+00  0.517197D+01 -0.758760D+00  0.257613D+01 -0.933873D+01
      5   0.250473D+00 -0.488593D+00  0.124975D+01  0.291812D-01  0.379798D+01
      6  -0.227215D+01 -0.427551D+01  0.275414D+01 -0.196302D+01 -0.148467D+02
               231           232           233           234           235 
      1   0.111645D+02  0.235144D+01  0.113590D+02 -0.364045D+01  0.386819D+02
      2  -0.926948D+01 -0.204327D+01 -0.116399D+02  0.330284D+01 -0.142246D+02
      3  -0.189499D+01 -0.308167D+00  0.280944D+00  0.337614D+00 -0.244573D+02
      4   0.264440D+01 -0.671415D-01  0.253766D+01  0.107779D+01 -0.301024D+02
      5  -0.240001D+01  0.172533D+01 -0.104028D+00 -0.276023D+00  0.553358D+01
      6   0.926075D+01  0.535022D+00  0.520898D+01 -0.332758D+01 -0.185513D+01
               236           237           238           239           240 
      1  -0.123685D+02  0.942225D+00 -0.129117D+02  0.445877D+01 -0.105730D+01
      2  -0.221437D+00  0.202512D+00 -0.472218D+01  0.146902D+02 -0.745072D+00
      3   0.125899D+02 -0.114474D+01  0.176339D+02 -0.191489D+02  0.180237D+01
      4   0.244694D+02 -0.369744D+01  0.366117D+02 -0.419639D+02  0.681380D+01
      5  -0.477550D+01  0.333817D+01 -0.895485D+01  0.872448D+01 -0.609092D+01
      6   0.236688D+01 -0.185141D+01  0.558377D+01 -0.645644D+01  0.524296D+01
               241           242           243           244           245 
      1   0.420678D+00 -0.720374D+00 -0.136853D+01  0.497569D+01  0.826951D+01
      2   0.293050D+01 -0.269332D+01  0.144864D+01  0.245781D+01  0.877369D+00
      3  -0.335118D+01  0.341370D+01 -0.801105D-01 -0.743349D+01 -0.914688D+01
      4  -0.733768D+01  0.807096D+01 -0.243051D+01  0.241570D+02  0.229778D+02
      5  -0.594741D+00 -0.214890D+01  0.167098D+01 -0.568919D+01 -0.492001D+01
      6   0.192124D+00  0.219936D+01 -0.169264D+01 -0.291898D+01 -0.276167D+01
               246           247           248           249           250 
      1  -0.196999D+01  0.614881D+01 -0.860815D+01  0.202604D+01 -0.168375D+01
      2   0.636585D+00  0.619213D+01  0.233723D+02 -0.305903D+01 -0.425171D+00
      3   0.133340D+01 -0.123409D+02 -0.147642D+02  0.103299D+01  0.210892D+01
      4  -0.595410D+01  0.302256D+02  0.496747D+02 -0.119040D+02 -0.806335D+01
      5   0.520598D+01 -0.663044D+01 -0.101259D+02  0.820931D+01  0.384896D+01
      6   0.267730D+01 -0.463352D+01 -0.879996D+01  0.741043D+01  0.336355D+01
               251           252           253           254           255 
      1   0.131988D+01 -0.111226D+01  0.402712D+01 -0.585472D+01 -0.108647D+02
      2  -0.433351D+01  0.223819D+01 -0.139545D+01  0.328964D+01  0.534356D+01
      3   0.301363D+01 -0.112593D+01 -0.263168D+01  0.256508D+01  0.552118D+01
      4  -0.128957D+02  0.421961D+01 -0.302769D+01 -0.404553D+00  0.182294D+01
      5   0.239966D+01 -0.259376D+01 -0.951900D+01  0.100325D+01 -0.309486D+01
      6   0.372409D+01 -0.331890D+01  0.262530D+01  0.919188D+00  0.198828D+01
               256           257           258           259           260 
      1  -0.193575D+02  0.172656D+01 -0.339370D+00 -0.288668D+02  0.185534D+01
      2   0.546493D+01  0.115389D+02  0.478454D+01  0.129120D+02  0.334601D+01
      3   0.138926D+02 -0.132655D+02 -0.444517D+01  0.159549D+02 -0.520135D+01
      4   0.324675D+02 -0.541191D+02 -0.289715D+02  0.204014D+02 -0.316915D+02
      5   0.147897D+02 -0.297996D+02 -0.318969D+02  0.233249D+02 -0.306021D+02
      6  -0.725428D+01  0.137678D+02  0.125873D+02 -0.858446D+01  0.133180D+02
               261           262           263           264           265 
      1   0.793164D-02  0.110152D+02 -0.159069D+01  0.122559D+02 -0.570816D+01
      2  -0.137092D+01 -0.700895D+01  0.998804D+00 -0.530357D+01  0.209754D+01
      3   0.136299D+01 -0.400628D+01  0.591884D+00 -0.695231D+01  0.361063D+01
      4  -0.284249D+02 -0.101536D+01 -0.383374D+00 -0.523296D+01  0.178122D+02
      5  -0.311151D+02  0.131913D+02 -0.450114D+01  0.353987D+01 -0.137348D+02
      6   0.119215D+02 -0.300602D+01  0.879797D+00  0.291030D+00  0.410775D+01
               266           267           268           269           270 
      1   0.281065D+01 -0.477995D+01  0.416520D+02 -0.832020D+01  0.908608D+01
      2   0.975206D+00  0.185226D+01 -0.259422D+02  0.451716D+01 -0.145221D+02
      3  -0.378585D+01  0.292770D+01 -0.157098D+02  0.380304D+01  0.543606D+01
      4  -0.201146D+02  0.149381D+02 -0.219756D+02  0.207237D+02 -0.258644D+02
      5   0.156567D+02 -0.267854D+02  0.428639D+02 -0.292584D+02  0.739652D+02
      6  -0.555242D+01  0.104217D+02 -0.991872D+01  0.110389D+02 -0.162559D+02
               271           272           273           274           275 
      1   0.194716D+03  0.183472D+02 -0.138196D+02  0.594972D+02  0.184004D+02
      2  -0.103325D+03 -0.107623D+02  0.787975D+01 -0.323055D+02 -0.923514D+01
      3  -0.913915D+02 -0.758485D+01  0.593982D+01 -0.271917D+02 -0.916523D+01
      4   0.151049D+02  0.156951D+02 -0.689869D+00  0.221584D+02  0.139314D+02
      5  -0.146090D+02 -0.851721D+00  0.185828D+02 -0.361274D+01 -0.432250D+01
      6   0.219097D+01  0.263865D-01 -0.117925D+01  0.210900D+00  0.524379D+00
               276           277           278           279 
      1  -0.419500D+01 -0.237621D+02 -0.231753D+01  0.166593D+02
      2   0.288329D+01  0.134043D+02  0.216470D+01 -0.100127D+02
      3   0.131172D+01  0.103578D+02  0.152828D+00 -0.664662D+01
      4  -0.428002D+01 -0.114758D+01 -0.533590D+01 -0.121788D+01
      5   0.501190D+01  0.240544D+02 -0.136042D+01 -0.373277D+01
      6   0.135961D+01 -0.102417D+01  0.240562D+01 -0.169929D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.199435D+01      0.506914D+01      0.169088D+02
   y          0.571605D+00      0.145287D+01      0.484627D+01
   z          0.345983D+00      0.879402D+00      0.293337D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.274146D+03      0.406242D+02      0.452006D+02
   yx        -0.138067D+02     -0.204594D+01     -0.227641D+01
   yy         0.162745D+03      0.241164D+02      0.268331D+02
   zx        -0.823187D+01     -0.121984D+01     -0.135725D+01
   zy        -0.103439D+02     -0.153281D+01     -0.170548D+01
   zz         0.113472D+03      0.168148D+02      0.187090D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200307D+03      0.296824D+02      0.330261D+02
   aniso      0.160677D+03      0.238098D+02      0.264920D+02
   xx         0.299444D+03      0.443730D+02      0.493716D+02
   yx        -0.175850D+02     -0.260583D+01     -0.289938D+01
   yy         0.177867D+03      0.263572D+02      0.293263D+02
   zx        -0.792047D+01     -0.117369D+01     -0.130591D+01
   zy        -0.112483D+02     -0.166683D+01     -0.185460D+01
   zz         0.123609D+03      0.183169D+02      0.203803D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.02064422         -0.90707113          0.92433595
     6          0.29799910          1.29262756          2.45517971
     6         -0.79111718         -0.63076508         -1.61612003
     6         -1.23436076          1.70799721         -2.66022976
     6         -0.90596916          3.87883470         -1.12724036
     6         -0.16883850          3.68343637          1.34444199
     6          0.44876481         -3.29199181          2.02312660
     1         -1.02378559         -2.32195680         -2.75048061
     1         -1.25383109          5.72537254         -1.94061820
     1          0.06938850          5.36626651          2.48432395
     6         -2.11526311          1.97671064         -5.37029115
     6         -4.85555211          1.12855166         -5.73618687
     6         -0.36798204          0.67575731         -7.28292117
     1         -1.99150682          3.98402550         -5.86765842
     1         -5.06386510         -0.86953240         -5.27920243
     1         -5.44215984          1.40038669         -7.68833598
     1         -6.09590511          2.20775896         -4.49512796
     8         -1.08109917         -0.25381863         -9.22007182
     8          2.12718921          0.72793364         -6.72331029
     1          2.36097213          1.35135007         -5.01753061
     6          1.19166424         -3.51819408          4.49473538
     6          1.50416040         -1.33181816          6.00282811
     6          1.06302996          1.02301370          4.98795886
     8          2.23511561         -1.40618548          8.46480390
     6          2.71681305         -3.78418175          9.60339744
     1          0.21493645         -4.97201390          0.87784433
     1          1.53446680         -5.37165096          5.27482479
     1          1.31272682          2.67370420          6.16906134
     1          4.25898473         -4.77975437          8.65402108
     1          1.02923267         -4.97702780          9.60823917
     1          3.26449527         -3.37777783         11.54119069

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.210330D+01      0.534607D+01      0.178326D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.210330D+01      0.534607D+01      0.178326D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183454D+03      0.271851D+02      0.302475D+02
   aniso      0.146367D+03      0.216893D+02      0.241326D+02
   xx         0.124841D+03      0.184996D+02      0.205835D+02
   yx        -0.145924D+02     -0.216237D+01     -0.240596D+01
   yy         0.174560D+03      0.258671D+02      0.287810D+02
   zx         0.439368D+02      0.651076D+01      0.724420D+01
   zy        -0.310115D+02     -0.459543D+01     -0.511311D+01
   zz         0.250962D+03      0.371888D+02      0.413781D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.200307D+03      0.296824D+02      0.330261D+02
   aniso      0.160677D+03      0.238098D+02      0.264920D+02
   xx         0.135876D+03      0.201348D+02      0.224030D+02
   yx        -0.165870D+02     -0.245794D+01     -0.273482D+01
   yy         0.191876D+03      0.284330D+02      0.316360D+02
   zx         0.474700D+02      0.703433D+01      0.782675D+01
   zy        -0.362162D+02     -0.536668D+01     -0.597124D+01
   zz         0.273167D+03      0.404792D+02      0.450392D+02

 ----------------------------------------------------------------------
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 THE MORE PROGRESS PHYSICAL SCIENCES MAKE, THE MORE THEY TEND TO ENTER
 THE DOMAIN OF MATHEMATICS, WHICH IS A KIND OF CENTRE TO WHICH THEY ALL
 CONVERGE.  WE MAY EVEN JUDGE THE DEGREE OF PERFECTION TO WHICH A 
 SCIENCE HAS ARRIVED BY THE FACILITY WITH WHICH IT MAY BE SUBMITTED
 TO CALCULATION.

                               -- ADOLPHE QUETELET, 1796-1874
 Job cpu time:       0 days 23 hours  1 minutes 32.6 seconds.
 Elapsed time:       0 days  2 hours 53 minutes  8.0 seconds.
 File lengths (MBytes):  RWF=    750 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 01:07:36 2021.
